*HEADER CHAPERONE 03-AUG-12 SMS21023 *TITLE MDCSGCSRPG HEAD-TO-TAIL CYCLIC PEPTIDE + CU(I) NO METAL CONSTRAINT - *TITLE 2 HIGH ENERGY ENSEMBLE (B) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: HEAD-TO-TAIL CYCLIC PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: SYNTHETIC PEPTIDE FROM COPPER(I) METALLOCHAPERONE *SOURCE 4 PROTEIN *KEYWDS METALLOCHAPERONES, COPPER(I), PEPTIDE MODEL, CHAPERONE *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR M.S.SHOSHAN, D.E.SHALEV, E.Y.TSHUVA HEADER Structure from MOLMOL COMPND refine_1_30 MODEL 1 ATOM 1 N MET A 1 -4.241 -3.403 -0.818 1.00 0.00 ATOM 2 H MET A 1 -4.155 -3.234 0.130 1.00 0.00 ATOM 3 CA MET A 1 -4.789 -2.360 -1.657 1.00 0.00 ATOM 4 HA MET A 1 -4.065 -2.145 -2.400 1.00 0.00 ATOM 5 CB MET A 1 -6.053 -2.952 -2.253 1.00 0.00 ATOM 6 1HB MET A 1 -6.771 -3.114 -1.464 1.00 0.00 ATOM 7 2HB MET A 1 -5.810 -3.897 -2.719 1.00 0.00 ATOM 8 CG MET A 1 -6.639 -1.996 -3.294 1.00 0.00 ATOM 9 1HG MET A 1 -7.027 -1.119 -2.798 1.00 0.00 ATOM 10 2HG MET A 1 -7.436 -2.490 -3.828 1.00 0.00 ATOM 11 SD MET A 1 -5.345 -1.504 -4.461 1.00 0.00 ATOM 12 CE MET A 1 -5.722 0.266 -4.484 1.00 0.00 ATOM 13 1HE MET A 1 -6.298 0.498 -5.369 1.00 0.00 ATOM 14 2HE MET A 1 -4.804 0.831 -4.497 1.00 0.00 ATOM 15 3HE MET A 1 -6.288 0.523 -3.600 1.00 0.00 ATOM 16 C MET A 1 -5.057 -1.102 -0.824 1.00 0.00 ATOM 17 O MET A 1 -6.176 -0.805 -0.455 1.00 0.00 ATOM 18 N ASP A 2 -4.015 -0.363 -0.537 1.00 0.00 ATOM 19 H ASP A 2 -3.128 -0.633 -0.855 1.00 0.00 ATOM 20 CA ASP A 2 -4.159 0.888 0.264 1.00 0.00 ATOM 21 HA ASP A 2 -3.191 1.352 0.412 1.00 0.00 ATOM 22 CB ASP A 2 -5.050 1.800 -0.579 1.00 0.00 ATOM 23 1HB ASP A 2 -5.816 2.234 0.046 1.00 0.00 ATOM 24 2HB ASP A 2 -5.511 1.223 -1.367 1.00 0.00 ATOM 25 CG ASP A 2 -4.202 2.917 -1.191 1.00 0.00 ATOM 26 OD1 ASP A 2 -3.698 3.732 -0.437 1.00 0.00 ATOM 27 OD2 ASP A 2 -4.072 2.937 -2.404 1.00 0.00 ATOM 28 C ASP A 2 -4.818 0.591 1.615 1.00 0.00 ATOM 29 O ASP A 2 -5.956 0.944 1.850 1.00 0.00 ATOM 30 N CYS A 3 -4.108 -0.046 2.505 1.00 0.00 ATOM 31 H CYS A 3 -3.189 -0.317 2.298 1.00 0.00 ATOM 32 CA CYS A 3 -4.693 -0.355 3.841 1.00 0.00 ATOM 33 HA CYS A 3 -5.732 -0.548 3.756 1.00 0.00 ATOM 34 CB CYS A 3 -3.954 -1.598 4.322 1.00 0.00 ATOM 35 1HB CYS A 3 -3.472 -1.384 5.265 1.00 0.00 ATOM 36 2HB CYS A 3 -3.208 -1.874 3.593 1.00 0.00 ATOM 37 SG CYS A 3 -5.129 -2.958 4.537 1.00 0.00 ATOM 38 HG CYS A 3 -5.927 -2.740 4.050 1.00 0.00 ATOM 39 C CYS A 3 -4.469 0.803 4.796 1.00 0.00 ATOM 40 O CYS A 3 -4.866 0.769 5.945 1.00 0.00 ATOM 41 N SER A 4 -3.830 1.821 4.328 1.00 0.00 ATOM 42 H SER A 4 -3.523 1.806 3.412 1.00 0.00 ATOM 43 CA SER A 4 -3.557 2.994 5.190 1.00 0.00 ATOM 44 HA SER A 4 -4.477 3.434 5.538 1.00 0.00 ATOM 45 CB SER A 4 -2.784 2.400 6.354 1.00 0.00 ATOM 46 1HB SER A 4 -2.064 1.690 5.965 1.00 0.00 ATOM 47 2HB SER A 4 -3.469 1.889 7.008 1.00 0.00 ATOM 48 OG SER A 4 -2.122 3.435 7.068 1.00 0.00 ATOM 49 HG SER A 4 -2.776 4.098 7.304 1.00 0.00 ATOM 50 C SER A 4 -2.708 4.021 4.435 1.00 0.00 ATOM 51 O SER A 4 -1.900 4.719 5.014 1.00 0.00 ATOM 52 N GLY A 5 -2.881 4.112 3.145 1.00 0.00 ATOM 53 H GLY A 5 -3.536 3.537 2.697 1.00 0.00 ATOM 54 CA GLY A 5 -2.083 5.088 2.350 1.00 0.00 ATOM 55 1HA GLY A 5 -1.553 5.750 3.017 1.00 0.00 ATOM 56 2HA GLY A 5 -2.743 5.663 1.717 1.00 0.00 ATOM 57 C GLY A 5 -1.074 4.329 1.485 1.00 0.00 ATOM 58 O GLY A 5 -1.097 4.405 0.273 1.00 0.00 ATOM 59 N CYS A 6 -0.191 3.592 2.101 1.00 0.00 ATOM 60 H CYS A 6 -0.194 3.542 3.080 1.00 0.00 ATOM 61 CA CYS A 6 0.819 2.819 1.323 1.00 0.00 ATOM 62 HA CYS A 6 0.334 2.031 0.762 1.00 0.00 ATOM 63 CB CYS A 6 1.454 3.832 0.370 1.00 0.00 ATOM 64 1HB CYS A 6 2.519 3.870 0.543 1.00 0.00 ATOM 65 2HB CYS A 6 1.025 4.808 0.544 1.00 0.00 ATOM 66 SG CYS A 6 1.138 3.332 -1.341 1.00 0.00 ATOM 67 HG CYS A 6 0.833 2.422 -1.333 1.00 0.00 ATOM 68 C CYS A 6 1.871 2.238 2.274 1.00 0.00 ATOM 69 O CYS A 6 2.383 2.921 3.139 1.00 0.00 ATOM 70 N SER A 7 2.186 0.979 2.132 1.00 0.00 ATOM 71 H SER A 7 1.755 0.437 1.435 1.00 0.00 ATOM 72 CA SER A 7 3.179 0.334 3.023 1.00 0.00 ATOM 73 HA SER A 7 4.159 0.767 2.903 1.00 0.00 ATOM 74 CB SER A 7 2.645 0.553 4.432 1.00 0.00 ATOM 75 1HB SER A 7 2.177 -0.359 4.776 1.00 0.00 ATOM 76 2HB SER A 7 1.914 1.344 4.420 1.00 0.00 ATOM 77 OG SER A 7 3.716 0.911 5.295 1.00 0.00 ATOM 78 HG SER A 7 3.362 1.473 5.988 1.00 0.00 ATOM 79 C SER A 7 3.171 -1.140 2.673 1.00 0.00 ATOM 80 O SER A 7 3.067 -2.003 3.521 1.00 0.00 ATOM 81 N ARG A 8 3.213 -1.411 1.405 1.00 0.00 ATOM 82 H ARG A 8 3.247 -0.679 0.755 1.00 0.00 ATOM 83 CA ARG A 8 3.139 -2.805 0.926 1.00 0.00 ATOM 84 HA ARG A 8 3.221 -2.807 -0.141 1.00 0.00 ATOM 85 CB ARG A 8 4.312 -3.552 1.566 1.00 0.00 ATOM 86 1HB ARG A 8 4.216 -4.609 1.369 1.00 0.00 ATOM 87 2HB ARG A 8 4.312 -3.385 2.633 1.00 0.00 ATOM 88 CG ARG A 8 5.627 -3.045 0.971 1.00 0.00 ATOM 89 1HG ARG A 8 5.428 -2.547 0.033 1.00 0.00 ATOM 90 2HG ARG A 8 6.292 -3.879 0.802 1.00 0.00 ATOM 91 CD ARG A 8 6.280 -2.058 1.940 1.00 0.00 ATOM 92 1HD ARG A 8 7.350 -2.198 1.957 1.00 0.00 ATOM 93 2HD ARG A 8 5.867 -2.176 2.932 1.00 0.00 ATOM 94 NE ARG A 8 5.952 -0.711 1.395 1.00 0.00 ATOM 95 HE ARG A 8 5.096 -0.289 1.618 1.00 0.00 ATOM 96 CZ ARG A 8 6.804 -0.093 0.624 1.00 0.00 ATOM 97 NH1 ARG A 8 7.632 0.777 1.132 1.00 0.00 ATOM 98 1HH1 ARG A 8 7.614 0.971 2.112 1.00 0.00 ATOM 99 2HH1 ARG A 8 8.284 1.250 0.540 1.00 0.00 ATOM 100 NH2 ARG A 8 6.828 -0.349 -0.655 1.00 0.00 ATOM 101 1HH2 ARG A 8 6.195 -1.017 -1.045 1.00 0.00 ATOM 102 2HH2 ARG A 8 7.481 0.125 -1.247 1.00 0.00 ATOM 103 C ARG A 8 1.792 -3.386 1.352 1.00 0.00 ATOM 104 O ARG A 8 1.717 -4.294 2.155 1.00 0.00 ATOM 105 N PRO A 9 0.768 -2.790 0.804 1.00 0.00 ATOM 106 CD PRO A 9 0.822 -1.696 -0.164 1.00 0.00 ATOM 107 CA PRO A 9 -0.623 -3.171 1.115 1.00 0.00 ATOM 108 HA PRO A 9 -0.765 -3.360 2.145 1.00 0.00 ATOM 109 CB PRO A 9 -1.435 -1.947 0.711 1.00 0.00 ATOM 110 1HB PRO A 9 -1.618 -1.306 1.551 1.00 0.00 ATOM 111 2HB PRO A 9 -2.378 -2.257 0.260 1.00 0.00 ATOM 112 CG PRO A 9 -0.610 -1.242 -0.305 1.00 0.00 ATOM 113 1HG PRO A 9 -0.670 -0.182 -0.139 1.00 0.00 ATOM 114 2HG PRO A 9 -0.974 -1.488 -1.288 1.00 0.00 ATOM 115 1HD PRO A 9 1.436 -0.896 0.213 1.00 0.00 ATOM 116 2HD PRO A 9 1.198 -2.048 -1.114 1.00 0.00 ATOM 117 C PRO A 9 -1.127 -4.321 0.297 1.00 0.00 ATOM 118 O PRO A 9 -0.446 -4.941 -0.495 1.00 0.00 ATOM 119 N GLY A 10 -2.389 -4.487 0.433 1.00 0.00 ATOM 120 H GLY A 10 -2.877 -3.876 1.006 1.00 0.00 ATOM 121 CA GLY A 10 -3.136 -5.450 -0.354 1.00 0.00 ATOM 122 1HA GLY A 10 -3.872 -5.948 0.248 1.00 0.00 ATOM 123 2HA GLY A 10 -2.461 -6.148 -0.833 1.00 0.00 ATOM 124 C GLY A 10 -3.792 -4.524 -1.344 1.00 0.00 ATOM 125 O GLY A 10 -3.807 -4.743 -2.539 1.00 0.00 TER ENDMDL MODEL 2 ATOM 1 N MET A 1 -4.204 -3.467 -0.967 1.00 0.00 ATOM 2 H MET A 1 -4.183 -3.279 -0.019 1.00 0.00 ATOM 3 CA MET A 1 -4.700 -2.442 -1.861 1.00 0.00 ATOM 4 HA MET A 1 -3.921 -2.219 -2.545 1.00 0.00 ATOM 5 CB MET A 1 -5.899 -3.064 -2.551 1.00 0.00 ATOM 6 1HB MET A 1 -6.692 -3.192 -1.830 1.00 0.00 ATOM 7 2HB MET A 1 -5.614 -4.028 -2.947 1.00 0.00 ATOM 8 CG MET A 1 -6.375 -2.154 -3.685 1.00 0.00 ATOM 9 1HG MET A 1 -5.848 -2.406 -4.594 1.00 0.00 ATOM 10 2HG MET A 1 -6.179 -1.124 -3.428 1.00 0.00 ATOM 11 SD MET A 1 -8.153 -2.386 -3.937 1.00 0.00 ATOM 12 CE MET A 1 -8.280 -1.478 -5.498 1.00 0.00 ATOM 13 1HE MET A 1 -7.551 -0.679 -5.510 1.00 0.00 ATOM 14 2HE MET A 1 -9.270 -1.061 -5.593 1.00 0.00 ATOM 15 3HE MET A 1 -8.095 -2.154 -6.322 1.00 0.00 ATOM 16 C MET A 1 -5.061 -1.186 -1.062 1.00 0.00 ATOM 17 O MET A 1 -6.214 -0.901 -0.805 1.00 0.00 ATOM 18 N ASP A 2 -4.061 -0.438 -0.670 1.00 0.00 ATOM 19 H ASP A 2 -3.144 -0.700 -0.894 1.00 0.00 ATOM 20 CA ASP A 2 -4.300 0.807 0.115 1.00 0.00 ATOM 21 HA ASP A 2 -3.375 1.359 0.235 1.00 0.00 ATOM 22 CB ASP A 2 -5.291 1.619 -0.717 1.00 0.00 ATOM 23 1HB ASP A 2 -6.298 1.313 -0.480 1.00 0.00 ATOM 24 2HB ASP A 2 -5.101 1.450 -1.768 1.00 0.00 ATOM 25 CG ASP A 2 -5.125 3.107 -0.401 1.00 0.00 ATOM 26 OD1 ASP A 2 -5.775 3.571 0.522 1.00 0.00 ATOM 27 OD2 ASP A 2 -4.352 3.756 -1.086 1.00 0.00 ATOM 28 C ASP A 2 -4.898 0.462 1.482 1.00 0.00 ATOM 29 O ASP A 2 -6.086 0.591 1.701 1.00 0.00 ATOM 30 N CYS A 3 -4.082 0.025 2.403 1.00 0.00 ATOM 31 H CYS A 3 -3.128 -0.073 2.205 1.00 0.00 ATOM 32 CA CYS A 3 -4.606 -0.330 3.754 1.00 0.00 ATOM 33 HA CYS A 3 -5.665 -0.397 3.737 1.00 0.00 ATOM 34 CB CYS A 3 -3.991 -1.688 4.070 1.00 0.00 ATOM 35 1HB CYS A 3 -3.423 -1.616 4.986 1.00 0.00 ATOM 36 2HB CYS A 3 -3.337 -1.979 3.262 1.00 0.00 ATOM 37 SG CYS A 3 -5.302 -2.919 4.266 1.00 0.00 ATOM 38 HG CYS A 3 -5.063 -3.495 4.994 1.00 0.00 ATOM 39 C CYS A 3 -4.179 0.698 4.784 1.00 0.00 ATOM 40 O CYS A 3 -4.480 0.587 5.956 1.00 0.00 ATOM 41 N SER A 4 -3.479 1.691 4.356 1.00 0.00 ATOM 42 H SER A 4 -3.250 1.741 3.417 1.00 0.00 ATOM 43 CA SER A 4 -3.015 2.732 5.303 1.00 0.00 ATOM 44 HA SER A 4 -3.852 3.192 5.803 1.00 0.00 ATOM 45 CB SER A 4 -2.181 1.946 6.298 1.00 0.00 ATOM 46 1HB SER A 4 -1.554 1.250 5.754 1.00 0.00 ATOM 47 2HB SER A 4 -2.836 1.396 6.952 1.00 0.00 ATOM 48 OG SER A 4 -1.383 2.839 7.064 1.00 0.00 ATOM 49 HG SER A 4 -0.461 2.662 6.860 1.00 0.00 ATOM 50 C SER A 4 -2.165 3.782 4.582 1.00 0.00 ATOM 51 O SER A 4 -1.141 4.211 5.077 1.00 0.00 ATOM 52 N GLY A 5 -2.579 4.200 3.418 1.00 0.00 ATOM 53 H GLY A 5 -3.408 3.842 3.035 1.00 0.00 ATOM 54 CA GLY A 5 -1.794 5.223 2.671 1.00 0.00 ATOM 55 1HA GLY A 5 -1.508 6.019 3.341 1.00 0.00 ATOM 56 2HA GLY A 5 -2.397 5.626 1.869 1.00 0.00 ATOM 57 C GLY A 5 -0.535 4.578 2.090 1.00 0.00 ATOM 58 O GLY A 5 0.557 5.093 2.221 1.00 0.00 ATOM 59 N CYS A 6 -0.681 3.451 1.448 1.00 0.00 ATOM 60 H CYS A 6 -1.570 3.052 1.357 1.00 0.00 ATOM 61 CA CYS A 6 0.504 2.767 0.859 1.00 0.00 ATOM 62 HA CYS A 6 0.188 1.904 0.291 1.00 0.00 ATOM 63 CB CYS A 6 1.146 3.800 -0.067 1.00 0.00 ATOM 64 1HB CYS A 6 2.207 3.847 0.127 1.00 0.00 ATOM 65 2HB CYS A 6 0.704 4.768 0.113 1.00 0.00 ATOM 66 SG CYS A 6 0.868 3.320 -1.791 1.00 0.00 ATOM 67 HG CYS A 6 1.496 2.628 -2.010 1.00 0.00 ATOM 68 C CYS A 6 1.478 2.355 1.968 1.00 0.00 ATOM 69 O CYS A 6 1.866 3.154 2.798 1.00 0.00 ATOM 70 N SER A 7 1.863 1.109 1.992 1.00 0.00 ATOM 71 H SER A 7 1.530 0.478 1.318 1.00 0.00 ATOM 72 CA SER A 7 2.789 0.606 3.035 1.00 0.00 ATOM 73 HA SER A 7 3.763 1.062 2.955 1.00 0.00 ATOM 74 CB SER A 7 2.120 0.952 4.358 1.00 0.00 ATOM 75 1HB SER A 7 1.670 0.059 4.768 1.00 0.00 ATOM 76 2HB SER A 7 1.353 1.689 4.190 1.00 0.00 ATOM 77 OG SER A 7 3.088 1.472 5.259 1.00 0.00 ATOM 78 HG SER A 7 2.734 2.277 5.643 1.00 0.00 ATOM 79 C SER A 7 2.853 -0.895 2.847 1.00 0.00 ATOM 80 O SER A 7 2.676 -1.670 3.765 1.00 0.00 ATOM 81 N ARG A 8 3.033 -1.292 1.625 1.00 0.00 ATOM 82 H ARG A 8 3.118 -0.630 0.909 1.00 0.00 ATOM 83 CA ARG A 8 3.035 -2.728 1.290 1.00 0.00 ATOM 84 HA ARG A 8 3.219 -2.841 0.241 1.00 0.00 ATOM 85 CB ARG A 8 4.158 -3.362 2.117 1.00 0.00 ATOM 86 1HB ARG A 8 3.950 -4.410 2.263 1.00 0.00 ATOM 87 2HB ARG A 8 4.223 -2.870 3.075 1.00 0.00 ATOM 88 CG ARG A 8 5.486 -3.206 1.373 1.00 0.00 ATOM 89 1HG ARG A 8 5.297 -3.111 0.315 1.00 0.00 ATOM 90 2HG ARG A 8 6.102 -4.076 1.553 1.00 0.00 ATOM 91 CD ARG A 8 6.210 -1.954 1.875 1.00 0.00 ATOM 92 1HD ARG A 8 7.266 -2.021 1.666 1.00 0.00 ATOM 93 2HD ARG A 8 6.041 -1.824 2.935 1.00 0.00 ATOM 94 NE ARG A 8 5.607 -0.829 1.108 1.00 0.00 ATOM 95 HE ARG A 8 4.958 -0.235 1.539 1.00 0.00 ATOM 96 CZ ARG A 8 5.946 -0.632 -0.137 1.00 0.00 ATOM 97 NH1 ARG A 8 5.596 0.472 -0.741 1.00 0.00 ATOM 98 1HH1 ARG A 8 5.069 1.166 -0.250 1.00 0.00 ATOM 99 2HH1 ARG A 8 5.855 0.623 -1.695 1.00 0.00 ATOM 100 NH2 ARG A 8 6.633 -1.537 -0.780 1.00 0.00 ATOM 101 1HH2 ARG A 8 6.901 -2.382 -0.318 1.00 0.00 ATOM 102 2HH2 ARG A 8 6.891 -1.385 -1.734 1.00 0.00 ATOM 103 C ARG A 8 1.666 -3.301 1.655 1.00 0.00 ATOM 104 O ARG A 8 1.540 -4.130 2.534 1.00 0.00 ATOM 105 N PRO A 9 0.680 -2.788 0.970 1.00 0.00 ATOM 106 CD PRO A 9 0.783 -1.792 -0.095 1.00 0.00 ATOM 107 CA PRO A 9 -0.723 -3.174 1.202 1.00 0.00 ATOM 108 HA PRO A 9 -0.930 -3.339 2.224 1.00 0.00 ATOM 109 CB PRO A 9 -1.511 -1.965 0.714 1.00 0.00 ATOM 110 1HB PRO A 9 -1.748 -1.303 1.525 1.00 0.00 ATOM 111 2HB PRO A 9 -2.423 -2.289 0.214 1.00 0.00 ATOM 112 CG PRO A 9 -0.626 -1.279 -0.267 1.00 0.00 ATOM 113 1HG PRO A 9 -0.647 -0.221 -0.084 1.00 0.00 ATOM 114 2HG PRO A 9 -0.972 -1.492 -1.263 1.00 0.00 ATOM 115 1HD PRO A 9 1.439 -0.994 0.202 1.00 0.00 ATOM 116 2HD PRO A 9 1.130 -2.250 -1.011 1.00 0.00 ATOM 117 C PRO A 9 -1.168 -4.346 0.380 1.00 0.00 ATOM 118 O PRO A 9 -0.431 -4.983 -0.347 1.00 0.00 ATOM 119 N GLY A 10 -2.436 -4.511 0.431 1.00 0.00 ATOM 120 H GLY A 10 -2.963 -3.885 0.953 1.00 0.00 ATOM 121 CA GLY A 10 -3.125 -5.496 -0.383 1.00 0.00 ATOM 122 1HA GLY A 10 -3.899 -5.982 0.180 1.00 0.00 ATOM 123 2HA GLY A 10 -2.418 -6.200 -0.797 1.00 0.00 ATOM 124 C GLY A 10 -3.715 -4.597 -1.437 1.00 0.00 ATOM 125 O GLY A 10 -3.649 -4.842 -2.624 1.00 0.00 TER ENDMDL MODEL 3 ATOM 1 N MET A 1 -4.209 -3.467 -0.970 1.00 0.00 ATOM 2 H MET A 1 -4.187 -3.282 -0.022 1.00 0.00 ATOM 3 CA MET A 1 -4.706 -2.438 -1.859 1.00 0.00 ATOM 4 HA MET A 1 -3.930 -2.212 -2.545 1.00 0.00 ATOM 5 CB MET A 1 -5.908 -3.056 -2.548 1.00 0.00 ATOM 6 1HB MET A 1 -6.698 -3.186 -1.825 1.00 0.00 ATOM 7 2HB MET A 1 -5.625 -4.018 -2.950 1.00 0.00 ATOM 8 CG MET A 1 -6.389 -2.142 -3.677 1.00 0.00 ATOM 9 1HG MET A 1 -5.600 -1.453 -3.943 1.00 0.00 ATOM 10 2HG MET A 1 -7.254 -1.587 -3.346 1.00 0.00 ATOM 11 SD MET A 1 -6.827 -3.143 -5.120 1.00 0.00 ATOM 12 CE MET A 1 -8.319 -2.229 -5.584 1.00 0.00 ATOM 13 1HE MET A 1 -9.074 -2.364 -4.822 1.00 0.00 ATOM 14 2HE MET A 1 -8.691 -2.600 -6.526 1.00 0.00 ATOM 15 3HE MET A 1 -8.081 -1.179 -5.682 1.00 0.00 ATOM 16 C MET A 1 -5.064 -1.185 -1.054 1.00 0.00 ATOM 17 O MET A 1 -6.215 -0.904 -0.784 1.00 0.00 ATOM 18 N ASP A 2 -4.062 -0.433 -0.670 1.00 0.00 ATOM 19 H ASP A 2 -3.146 -0.691 -0.904 1.00 0.00 ATOM 20 CA ASP A 2 -4.299 0.808 0.121 1.00 0.00 ATOM 21 HA ASP A 2 -3.376 1.363 0.234 1.00 0.00 ATOM 22 CB ASP A 2 -5.301 1.620 -0.700 1.00 0.00 ATOM 23 1HB ASP A 2 -6.252 1.643 -0.187 1.00 0.00 ATOM 24 2HB ASP A 2 -5.427 1.161 -1.670 1.00 0.00 ATOM 25 CG ASP A 2 -4.783 3.049 -0.872 1.00 0.00 ATOM 26 OD1 ASP A 2 -3.871 3.235 -1.659 1.00 0.00 ATOM 27 OD2 ASP A 2 -5.309 3.932 -0.213 1.00 0.00 ATOM 28 C ASP A 2 -4.883 0.455 1.492 1.00 0.00 ATOM 29 O ASP A 2 -6.070 0.577 1.722 1.00 0.00 ATOM 30 N CYS A 3 -4.058 0.017 2.403 1.00 0.00 ATOM 31 H CYS A 3 -3.104 -0.077 2.197 1.00 0.00 ATOM 32 CA CYS A 3 -4.568 -0.348 3.757 1.00 0.00 ATOM 33 HA CYS A 3 -5.625 -0.436 3.744 1.00 0.00 ATOM 34 CB CYS A 3 -3.925 -1.692 4.072 1.00 0.00 ATOM 35 1HB CYS A 3 -3.430 -1.635 5.031 1.00 0.00 ATOM 36 2HB CYS A 3 -3.199 -1.928 3.307 1.00 0.00 ATOM 37 SG CYS A 3 -5.197 -2.978 4.122 1.00 0.00 ATOM 38 HG CYS A 3 -4.979 -3.637 3.459 1.00 0.00 ATOM 39 C CYS A 3 -4.159 0.691 4.784 1.00 0.00 ATOM 40 O CYS A 3 -4.462 0.581 5.955 1.00 0.00 ATOM 41 N SER A 4 -3.467 1.690 4.355 1.00 0.00 ATOM 42 H SER A 4 -3.235 1.739 3.417 1.00 0.00 ATOM 43 CA SER A 4 -3.022 2.741 5.301 1.00 0.00 ATOM 44 HA SER A 4 -3.867 3.197 5.788 1.00 0.00 ATOM 45 CB SER A 4 -2.190 1.970 6.309 1.00 0.00 ATOM 46 1HB SER A 4 -1.556 1.272 5.775 1.00 0.00 ATOM 47 2HB SER A 4 -2.846 1.423 6.963 1.00 0.00 ATOM 48 OG SER A 4 -1.400 2.873 7.069 1.00 0.00 ATOM 49 HG SER A 4 -0.588 3.039 6.584 1.00 0.00 ATOM 50 C SER A 4 -2.173 3.792 4.580 1.00 0.00 ATOM 51 O SER A 4 -1.155 4.230 5.078 1.00 0.00 ATOM 52 N GLY A 5 -2.582 4.202 3.411 1.00 0.00 ATOM 53 H GLY A 5 -3.407 3.838 3.025 1.00 0.00 ATOM 54 CA GLY A 5 -1.797 5.226 2.664 1.00 0.00 ATOM 55 1HA GLY A 5 -1.514 6.023 3.334 1.00 0.00 ATOM 56 2HA GLY A 5 -2.399 5.625 1.860 1.00 0.00 ATOM 57 C GLY A 5 -0.537 4.580 2.087 1.00 0.00 ATOM 58 O GLY A 5 0.555 5.091 2.229 1.00 0.00 ATOM 59 N CYS A 6 -0.681 3.456 1.441 1.00 0.00 ATOM 60 H CYS A 6 -1.572 3.061 1.342 1.00 0.00 ATOM 61 CA CYS A 6 0.503 2.769 0.853 1.00 0.00 ATOM 62 HA CYS A 6 0.186 1.906 0.287 1.00 0.00 ATOM 63 CB CYS A 6 1.149 3.799 -0.075 1.00 0.00 ATOM 64 1HB CYS A 6 1.877 3.309 -0.704 1.00 0.00 ATOM 65 2HB CYS A 6 1.638 4.560 0.514 1.00 0.00 ATOM 66 SG CYS A 6 -0.123 4.563 -1.111 1.00 0.00 ATOM 67 HG CYS A 6 -0.547 5.256 -0.599 1.00 0.00 ATOM 68 C CYS A 6 1.476 2.358 1.966 1.00 0.00 ATOM 69 O CYS A 6 1.867 3.158 2.791 1.00 0.00 ATOM 70 N SER A 7 1.852 1.108 1.997 1.00 0.00 ATOM 71 H SER A 7 1.514 0.474 1.326 1.00 0.00 ATOM 72 CA SER A 7 2.774 0.607 3.044 1.00 0.00 ATOM 73 HA SER A 7 3.749 1.063 2.968 1.00 0.00 ATOM 74 CB SER A 7 2.099 0.953 4.363 1.00 0.00 ATOM 75 1HB SER A 7 1.627 0.066 4.760 1.00 0.00 ATOM 76 2HB SER A 7 1.351 1.709 4.196 1.00 0.00 ATOM 77 OG SER A 7 3.070 1.444 5.279 1.00 0.00 ATOM 78 HG SER A 7 2.978 0.954 6.100 1.00 0.00 ATOM 79 C SER A 7 2.842 -0.895 2.856 1.00 0.00 ATOM 80 O SER A 7 2.663 -1.670 3.774 1.00 0.00 ATOM 81 N ARG A 8 3.025 -1.291 1.635 1.00 0.00 ATOM 82 H ARG A 8 3.111 -0.628 0.920 1.00 0.00 ATOM 83 CA ARG A 8 3.031 -2.728 1.300 1.00 0.00 ATOM 84 HA ARG A 8 3.218 -2.840 0.252 1.00 0.00 ATOM 85 CB ARG A 8 4.152 -3.359 2.130 1.00 0.00 ATOM 86 1HB ARG A 8 3.937 -4.405 2.287 1.00 0.00 ATOM 87 2HB ARG A 8 4.222 -2.858 3.084 1.00 0.00 ATOM 88 CG ARG A 8 5.478 -3.220 1.383 1.00 0.00 ATOM 89 1HG ARG A 8 5.291 -3.165 0.321 1.00 0.00 ATOM 90 2HG ARG A 8 6.102 -4.077 1.595 1.00 0.00 ATOM 91 CD ARG A 8 6.192 -1.945 1.840 1.00 0.00 ATOM 92 1HD ARG A 8 7.226 -1.961 1.534 1.00 0.00 ATOM 93 2HD ARG A 8 6.115 -1.838 2.914 1.00 0.00 ATOM 94 NE ARG A 8 5.473 -0.836 1.153 1.00 0.00 ATOM 95 HE ARG A 8 4.936 -0.202 1.673 1.00 0.00 ATOM 96 CZ ARG A 8 5.558 -0.706 -0.143 1.00 0.00 ATOM 97 NH1 ARG A 8 6.449 -1.388 -0.811 1.00 0.00 ATOM 98 1HH1 ARG A 8 7.066 -2.011 -0.331 1.00 0.00 ATOM 99 2HH1 ARG A 8 6.513 -1.289 -1.804 1.00 0.00 ATOM 100 NH2 ARG A 8 4.754 0.106 -0.772 1.00 0.00 ATOM 101 1HH2 ARG A 8 4.072 0.630 -0.261 1.00 0.00 ATOM 102 2HH2 ARG A 8 4.819 0.206 -1.765 1.00 0.00 ATOM 103 C ARG A 8 1.662 -3.303 1.661 1.00 0.00 ATOM 104 O ARG A 8 1.533 -4.131 2.539 1.00 0.00 ATOM 105 N PRO A 9 0.676 -2.790 0.973 1.00 0.00 ATOM 106 CD PRO A 9 0.780 -1.794 -0.092 1.00 0.00 ATOM 107 CA PRO A 9 -0.727 -3.179 1.200 1.00 0.00 ATOM 108 HA PRO A 9 -0.936 -3.345 2.222 1.00 0.00 ATOM 109 CB PRO A 9 -1.515 -1.968 0.715 1.00 0.00 ATOM 110 1HB PRO A 9 -1.755 -1.310 1.527 1.00 0.00 ATOM 111 2HB PRO A 9 -2.425 -2.292 0.211 1.00 0.00 ATOM 112 CG PRO A 9 -0.628 -1.280 -0.263 1.00 0.00 ATOM 113 1HG PRO A 9 -0.649 -0.221 -0.076 1.00 0.00 ATOM 114 2HG PRO A 9 -0.973 -1.489 -1.261 1.00 0.00 ATOM 115 1HD PRO A 9 1.436 -0.996 0.206 1.00 0.00 ATOM 116 2HD PRO A 9 1.126 -2.251 -1.008 1.00 0.00 ATOM 117 C PRO A 9 -1.170 -4.348 0.374 1.00 0.00 ATOM 118 O PRO A 9 -0.431 -4.983 -0.352 1.00 0.00 ATOM 119 N GLY A 10 -2.437 -4.514 0.422 1.00 0.00 ATOM 120 H GLY A 10 -2.966 -3.890 0.946 1.00 0.00 ATOM 121 CA GLY A 10 -3.125 -5.496 -0.395 1.00 0.00 ATOM 122 1HA GLY A 10 -3.899 -5.986 0.165 1.00 0.00 ATOM 123 2HA GLY A 10 -2.417 -6.198 -0.813 1.00 0.00 ATOM 124 C GLY A 10 -3.718 -4.593 -1.446 1.00 0.00 ATOM 125 O GLY A 10 -3.652 -4.834 -2.635 1.00 0.00 TER ENDMDL MODEL 4 ATOM 1 N MET A 1 -4.194 -3.469 -0.945 1.00 0.00 ATOM 2 H MET A 1 -4.168 -3.278 0.003 1.00 0.00 ATOM 3 CA MET A 1 -4.691 -2.444 -1.838 1.00 0.00 ATOM 4 HA MET A 1 -3.911 -2.219 -2.520 1.00 0.00 ATOM 5 CB MET A 1 -5.887 -3.067 -2.531 1.00 0.00 ATOM 6 1HB MET A 1 -6.687 -3.179 -1.816 1.00 0.00 ATOM 7 2HB MET A 1 -5.605 -4.038 -2.910 1.00 0.00 ATOM 8 CG MET A 1 -6.346 -2.171 -3.683 1.00 0.00 ATOM 9 1HG MET A 1 -5.490 -1.878 -4.273 1.00 0.00 ATOM 10 2HG MET A 1 -6.827 -1.290 -3.285 1.00 0.00 ATOM 11 SD MET A 1 -7.514 -3.080 -4.725 1.00 0.00 ATOM 12 CE MET A 1 -6.775 -2.652 -6.320 1.00 0.00 ATOM 13 1HE MET A 1 -7.502 -2.807 -7.106 1.00 0.00 ATOM 14 2HE MET A 1 -5.917 -3.279 -6.500 1.00 0.00 ATOM 15 3HE MET A 1 -6.465 -1.616 -6.307 1.00 0.00 ATOM 16 C MET A 1 -5.055 -1.189 -1.039 1.00 0.00 ATOM 17 O MET A 1 -6.205 -0.926 -0.748 1.00 0.00 ATOM 18 N ASP A 2 -4.060 -0.414 -0.685 1.00 0.00 ATOM 19 H ASP A 2 -3.144 -0.657 -0.936 1.00 0.00 ATOM 20 CA ASP A 2 -4.303 0.832 0.097 1.00 0.00 ATOM 21 HA ASP A 2 -3.379 1.382 0.224 1.00 0.00 ATOM 22 CB ASP A 2 -5.286 1.645 -0.746 1.00 0.00 ATOM 23 1HB ASP A 2 -6.084 2.010 -0.117 1.00 0.00 ATOM 24 2HB ASP A 2 -5.697 1.017 -1.524 1.00 0.00 ATOM 25 CG ASP A 2 -4.557 2.832 -1.378 1.00 0.00 ATOM 26 OD1 ASP A 2 -3.406 2.665 -1.749 1.00 0.00 ATOM 27 OD2 ASP A 2 -5.161 3.886 -1.481 1.00 0.00 ATOM 28 C ASP A 2 -4.913 0.490 1.458 1.00 0.00 ATOM 29 O ASP A 2 -6.101 0.631 1.671 1.00 0.00 ATOM 30 N CYS A 3 -4.110 0.037 2.382 1.00 0.00 ATOM 31 H CYS A 3 -3.154 -0.072 2.189 1.00 0.00 ATOM 32 CA CYS A 3 -4.644 -0.318 3.729 1.00 0.00 ATOM 33 HA CYS A 3 -5.704 -0.373 3.704 1.00 0.00 ATOM 34 CB CYS A 3 -4.046 -1.684 4.041 1.00 0.00 ATOM 35 1HB CYS A 3 -3.502 -1.629 4.971 1.00 0.00 ATOM 36 2HB CYS A 3 -3.374 -1.968 3.246 1.00 0.00 ATOM 37 SG CYS A 3 -5.371 -2.909 4.185 1.00 0.00 ATOM 38 HG CYS A 3 -6.148 -2.560 3.740 1.00 0.00 ATOM 39 C CYS A 3 -4.211 0.700 4.766 1.00 0.00 ATOM 40 O CYS A 3 -4.515 0.584 5.936 1.00 0.00 ATOM 41 N SER A 4 -3.498 1.687 4.347 1.00 0.00 ATOM 42 H SER A 4 -3.265 1.742 3.409 1.00 0.00 ATOM 43 CA SER A 4 -3.027 2.716 5.304 1.00 0.00 ATOM 44 HA SER A 4 -3.861 3.177 5.808 1.00 0.00 ATOM 45 CB SER A 4 -2.200 1.915 6.292 1.00 0.00 ATOM 46 1HB SER A 4 -1.574 1.223 5.741 1.00 0.00 ATOM 47 2HB SER A 4 -2.859 1.360 6.937 1.00 0.00 ATOM 48 OG SER A 4 -1.399 2.795 7.070 1.00 0.00 ATOM 49 HG SER A 4 -1.895 3.029 7.857 1.00 0.00 ATOM 50 C SER A 4 -2.169 3.768 4.595 1.00 0.00 ATOM 51 O SER A 4 -1.149 4.193 5.099 1.00 0.00 ATOM 52 N GLY A 5 -2.575 4.194 3.430 1.00 0.00 ATOM 53 H GLY A 5 -3.402 3.839 3.040 1.00 0.00 ATOM 54 CA GLY A 5 -1.783 5.220 2.694 1.00 0.00 ATOM 55 1HA GLY A 5 -1.495 6.007 3.373 1.00 0.00 ATOM 56 2HA GLY A 5 -2.384 5.635 1.896 1.00 0.00 ATOM 57 C GLY A 5 -0.527 4.575 2.106 1.00 0.00 ATOM 58 O GLY A 5 0.566 5.086 2.240 1.00 0.00 ATOM 59 N CYS A 6 -0.676 3.453 1.458 1.00 0.00 ATOM 60 H CYS A 6 -1.567 3.057 1.364 1.00 0.00 ATOM 61 CA CYS A 6 0.505 2.770 0.861 1.00 0.00 ATOM 62 HA CYS A 6 0.186 1.909 0.292 1.00 0.00 ATOM 63 CB CYS A 6 1.144 3.806 -0.065 1.00 0.00 ATOM 64 1HB CYS A 6 2.213 3.815 0.089 1.00 0.00 ATOM 65 2HB CYS A 6 0.740 4.783 0.154 1.00 0.00 ATOM 66 SG CYS A 6 0.788 3.377 -1.787 1.00 0.00 ATOM 67 HG CYS A 6 1.483 3.749 -2.335 1.00 0.00 ATOM 68 C CYS A 6 1.485 2.353 1.964 1.00 0.00 ATOM 69 O CYS A 6 1.879 3.151 2.794 1.00 0.00 ATOM 70 N SER A 7 1.866 1.106 1.985 1.00 0.00 ATOM 71 H SER A 7 1.528 0.475 1.312 1.00 0.00 ATOM 72 CA SER A 7 2.797 0.601 3.023 1.00 0.00 ATOM 73 HA SER A 7 3.771 1.059 2.942 1.00 0.00 ATOM 74 CB SER A 7 2.130 0.940 4.349 1.00 0.00 ATOM 75 1HB SER A 7 1.674 0.048 4.752 1.00 0.00 ATOM 76 2HB SER A 7 1.371 1.686 4.189 1.00 0.00 ATOM 77 OG SER A 7 3.104 1.445 5.254 1.00 0.00 ATOM 78 HG SER A 7 3.030 0.951 6.074 1.00 0.00 ATOM 79 C SER A 7 2.864 -0.899 2.829 1.00 0.00 ATOM 80 O SER A 7 2.689 -1.679 3.744 1.00 0.00 ATOM 81 N ARG A 8 3.042 -1.292 1.607 1.00 0.00 ATOM 82 H ARG A 8 3.125 -0.626 0.892 1.00 0.00 ATOM 83 CA ARG A 8 3.046 -2.727 1.265 1.00 0.00 ATOM 84 HA ARG A 8 3.217 -2.834 0.214 1.00 0.00 ATOM 85 CB ARG A 8 4.180 -3.362 2.075 1.00 0.00 ATOM 86 1HB ARG A 8 4.065 -4.436 2.073 1.00 0.00 ATOM 87 2HB ARG A 8 4.148 -2.998 3.091 1.00 0.00 ATOM 88 CG ARG A 8 5.524 -2.996 1.444 1.00 0.00 ATOM 89 1HG ARG A 8 5.373 -2.715 0.412 1.00 0.00 ATOM 90 2HG ARG A 8 6.188 -3.848 1.492 1.00 0.00 ATOM 91 CD ARG A 8 6.143 -1.821 2.204 1.00 0.00 ATOM 92 1HD ARG A 8 7.209 -1.955 2.301 1.00 0.00 ATOM 93 2HD ARG A 8 5.683 -1.723 3.178 1.00 0.00 ATOM 94 NE ARG A 8 5.852 -0.625 1.366 1.00 0.00 ATOM 95 HE ARG A 8 4.957 -0.228 1.372 1.00 0.00 ATOM 96 CZ ARG A 8 6.791 -0.105 0.624 1.00 0.00 ATOM 97 NH1 ARG A 8 8.020 -0.060 1.062 1.00 0.00 ATOM 98 1HH1 ARG A 8 8.242 -0.423 1.966 1.00 0.00 ATOM 99 2HH1 ARG A 8 8.739 0.339 0.493 1.00 0.00 ATOM 100 NH2 ARG A 8 6.502 0.370 -0.556 1.00 0.00 ATOM 101 1HH2 ARG A 8 5.561 0.335 -0.893 1.00 0.00 ATOM 102 2HH2 ARG A 8 7.222 0.768 -1.125 1.00 0.00 ATOM 103 C ARG A 8 1.682 -3.305 1.641 1.00 0.00 ATOM 104 O ARG A 8 1.566 -4.137 2.520 1.00 0.00 ATOM 105 N PRO A 9 0.687 -2.793 0.968 1.00 0.00 ATOM 106 CD PRO A 9 0.777 -1.794 -0.095 1.00 0.00 ATOM 107 CA PRO A 9 -0.712 -3.183 1.212 1.00 0.00 ATOM 108 HA PRO A 9 -0.909 -3.351 2.236 1.00 0.00 ATOM 109 CB PRO A 9 -1.507 -1.973 0.737 1.00 0.00 ATOM 110 1HB PRO A 9 -1.739 -1.315 1.552 1.00 0.00 ATOM 111 2HB PRO A 9 -2.422 -2.297 0.245 1.00 0.00 ATOM 112 CG PRO A 9 -0.633 -1.281 -0.250 1.00 0.00 ATOM 113 1HG PRO A 9 -0.655 -0.223 -0.061 1.00 0.00 ATOM 114 2HG PRO A 9 -0.990 -1.491 -1.243 1.00 0.00 ATOM 115 1HD PRO A 9 1.436 -0.996 0.195 1.00 0.00 ATOM 116 2HD PRO A 9 1.114 -2.249 -1.018 1.00 0.00 ATOM 117 C PRO A 9 -1.163 -4.352 0.390 1.00 0.00 ATOM 118 O PRO A 9 -0.431 -4.986 -0.344 1.00 0.00 ATOM 119 N GLY A 10 -2.430 -4.519 0.451 1.00 0.00 ATOM 120 H GLY A 10 -2.955 -3.897 0.978 1.00 0.00 ATOM 121 CA GLY A 10 -3.123 -5.503 -0.362 1.00 0.00 ATOM 122 1HA GLY A 10 -3.896 -5.988 0.202 1.00 0.00 ATOM 123 2HA GLY A 10 -2.417 -6.208 -0.778 1.00 0.00 ATOM 124 C GLY A 10 -3.714 -4.602 -1.414 1.00 0.00 ATOM 125 O GLY A 10 -3.656 -4.851 -2.602 1.00 0.00 TER ENDMDL MODEL 5 ATOM 1 N MET A 1 -4.322 -3.828 -0.799 1.00 0.00 ATOM 2 H MET A 1 -4.247 -3.505 0.108 1.00 0.00 ATOM 3 CA MET A 1 -4.918 -2.961 -1.794 1.00 0.00 ATOM 4 HA MET A 1 -4.213 -2.857 -2.579 1.00 0.00 ATOM 5 CB MET A 1 -6.172 -3.680 -2.253 1.00 0.00 ATOM 6 1HB MET A 1 -6.879 -3.708 -1.439 1.00 0.00 ATOM 7 2HB MET A 1 -5.912 -4.690 -2.539 1.00 0.00 ATOM 8 CG MET A 1 -6.788 -2.945 -3.445 1.00 0.00 ATOM 9 1HG MET A 1 -7.168 -1.987 -3.119 1.00 0.00 ATOM 10 2HG MET A 1 -7.597 -3.532 -3.852 1.00 0.00 ATOM 11 SD MET A 1 -5.526 -2.692 -4.717 1.00 0.00 ATOM 12 CE MET A 1 -5.944 -0.978 -5.115 1.00 0.00 ATOM 13 1HE MET A 1 -5.710 -0.345 -4.269 1.00 0.00 ATOM 14 2HE MET A 1 -6.998 -0.904 -5.333 1.00 0.00 ATOM 15 3HE MET A 1 -5.376 -0.660 -5.978 1.00 0.00 ATOM 16 C MET A 1 -5.212 -1.587 -1.185 1.00 0.00 ATOM 17 O MET A 1 -6.336 -1.258 -0.859 1.00 0.00 ATOM 18 N ASP A 2 -4.188 -0.782 -1.042 1.00 0.00 ATOM 19 H ASP A 2 -3.298 -1.080 -1.321 1.00 0.00 ATOM 20 CA ASP A 2 -4.358 0.586 -0.467 1.00 0.00 ATOM 21 HA ASP A 2 -3.462 1.174 -0.636 1.00 0.00 ATOM 22 CB ASP A 2 -5.535 1.200 -1.226 1.00 0.00 ATOM 23 1HB ASP A 2 -6.462 0.841 -0.805 1.00 0.00 ATOM 24 2HB ASP A 2 -5.478 0.917 -2.268 1.00 0.00 ATOM 25 CG ASP A 2 -5.481 2.724 -1.107 1.00 0.00 ATOM 26 OD1 ASP A 2 -4.770 3.335 -1.888 1.00 0.00 ATOM 27 OD2 ASP A 2 -6.151 3.254 -0.236 1.00 0.00 ATOM 28 C ASP A 2 -4.659 0.513 1.030 1.00 0.00 ATOM 29 O ASP A 2 -5.778 0.698 1.463 1.00 0.00 ATOM 30 N CYS A 3 -3.654 0.265 1.821 1.00 0.00 ATOM 31 H CYS A 3 -2.762 0.138 1.444 1.00 0.00 ATOM 32 CA CYS A 3 -3.851 0.201 3.293 1.00 0.00 ATOM 33 HA CYS A 3 -4.622 -0.497 3.560 1.00 0.00 ATOM 34 CB CYS A 3 -2.503 -0.268 3.846 1.00 0.00 ATOM 35 1HB CYS A 3 -1.916 0.590 4.139 1.00 0.00 ATOM 36 2HB CYS A 3 -1.975 -0.822 3.083 1.00 0.00 ATOM 37 SG CYS A 3 -2.777 -1.332 5.283 1.00 0.00 ATOM 38 HG CYS A 3 -2.460 -0.868 6.061 1.00 0.00 ATOM 39 C CYS A 3 -4.199 1.584 3.821 1.00 0.00 ATOM 40 O CYS A 3 -4.953 2.321 3.216 1.00 0.00 ATOM 41 N SER A 4 -3.667 1.937 4.944 1.00 0.00 ATOM 42 H SER A 4 -3.071 1.323 5.418 1.00 0.00 ATOM 43 CA SER A 4 -3.973 3.264 5.521 1.00 0.00 ATOM 44 HA SER A 4 -4.927 3.620 5.168 1.00 0.00 ATOM 45 CB SER A 4 -4.039 2.991 7.014 1.00 0.00 ATOM 46 1HB SER A 4 -3.280 2.261 7.271 1.00 0.00 ATOM 47 2HB SER A 4 -5.010 2.592 7.259 1.00 0.00 ATOM 48 OG SER A 4 -3.825 4.199 7.731 1.00 0.00 ATOM 49 HG SER A 4 -4.568 4.327 8.325 1.00 0.00 ATOM 50 C SER A 4 -2.862 4.260 5.175 1.00 0.00 ATOM 51 O SER A 4 -2.380 4.987 6.020 1.00 0.00 ATOM 52 N GLY A 5 -2.460 4.303 3.930 1.00 0.00 ATOM 53 H GLY A 5 -2.870 3.713 3.264 1.00 0.00 ATOM 54 CA GLY A 5 -1.389 5.259 3.524 1.00 0.00 ATOM 55 1HA GLY A 5 -0.921 5.668 4.407 1.00 0.00 ATOM 56 2HA GLY A 5 -1.828 6.062 2.949 1.00 0.00 ATOM 57 C GLY A 5 -0.327 4.548 2.675 1.00 0.00 ATOM 58 O GLY A 5 0.802 4.988 2.596 1.00 0.00 ATOM 59 N CYS A 6 -0.670 3.456 2.040 1.00 0.00 ATOM 60 H CYS A 6 -1.580 3.109 2.112 1.00 0.00 ATOM 61 CA CYS A 6 0.332 2.735 1.205 1.00 0.00 ATOM 62 HA CYS A 6 -0.135 1.892 0.707 1.00 0.00 ATOM 63 CB CYS A 6 0.806 3.758 0.172 1.00 0.00 ATOM 64 1HB CYS A 6 1.371 3.256 -0.599 1.00 0.00 ATOM 65 2HB CYS A 6 1.433 4.493 0.656 1.00 0.00 ATOM 66 SG CYS A 6 -0.626 4.581 -0.567 1.00 0.00 ATOM 67 HG CYS A 6 -0.408 4.795 -1.477 1.00 0.00 ATOM 68 C CYS A 6 1.500 2.274 2.087 1.00 0.00 ATOM 69 O CYS A 6 2.040 3.038 2.861 1.00 0.00 ATOM 70 N SER A 7 1.880 1.031 1.986 1.00 0.00 ATOM 71 H SER A 7 1.426 0.424 1.362 1.00 0.00 ATOM 72 CA SER A 7 2.988 0.497 2.816 1.00 0.00 ATOM 73 HA SER A 7 3.924 0.981 2.587 1.00 0.00 ATOM 74 CB SER A 7 2.563 0.763 4.253 1.00 0.00 ATOM 75 1HB SER A 7 1.561 0.378 4.399 1.00 0.00 ATOM 76 2HB SER A 7 2.568 1.821 4.439 1.00 0.00 ATOM 77 OG SER A 7 3.468 0.123 5.141 1.00 0.00 ATOM 78 HG SER A 7 3.250 -0.813 5.165 1.00 0.00 ATOM 79 C SER A 7 3.040 -0.989 2.542 1.00 0.00 ATOM 80 O SER A 7 2.971 -1.812 3.432 1.00 0.00 ATOM 81 N ARG A 8 3.085 -1.319 1.290 1.00 0.00 ATOM 82 H ARG A 8 3.082 -0.619 0.605 1.00 0.00 ATOM 83 CA ARG A 8 3.058 -2.735 0.882 1.00 0.00 ATOM 84 HA ARG A 8 3.143 -2.785 -0.183 1.00 0.00 ATOM 85 CB ARG A 8 4.245 -3.420 1.566 1.00 0.00 ATOM 86 1HB ARG A 8 4.221 -4.477 1.352 1.00 0.00 ATOM 87 2HB ARG A 8 4.188 -3.267 2.632 1.00 0.00 ATOM 88 CG ARG A 8 5.551 -2.826 1.033 1.00 0.00 ATOM 89 1HG ARG A 8 5.427 -2.555 -0.004 1.00 0.00 ATOM 90 2HG ARG A 8 6.341 -3.559 1.123 1.00 0.00 ATOM 91 CD ARG A 8 5.917 -1.581 1.844 1.00 0.00 ATOM 92 1HD ARG A 8 6.965 -1.592 2.100 1.00 0.00 ATOM 93 2HD ARG A 8 5.309 -1.523 2.736 1.00 0.00 ATOM 94 NE ARG A 8 5.625 -0.435 0.938 1.00 0.00 ATOM 95 HE ARG A 8 4.785 0.060 1.029 1.00 0.00 ATOM 96 CZ ARG A 8 6.489 -0.091 0.021 1.00 0.00 ATOM 97 NH1 ARG A 8 6.445 1.103 -0.501 1.00 0.00 ATOM 98 1HH1 ARG A 8 5.749 1.755 -0.201 1.00 0.00 ATOM 99 2HH1 ARG A 8 7.107 1.367 -1.203 1.00 0.00 ATOM 100 NH2 ARG A 8 7.397 -0.942 -0.372 1.00 0.00 ATOM 101 1HH2 ARG A 8 7.431 -1.858 0.029 1.00 0.00 ATOM 102 2HH2 ARG A 8 8.059 -0.679 -1.074 1.00 0.00 ATOM 103 C ARG A 8 1.721 -3.317 1.331 1.00 0.00 ATOM 104 O ARG A 8 1.652 -4.166 2.197 1.00 0.00 ATOM 105 N PRO A 9 0.697 -2.777 0.730 1.00 0.00 ATOM 106 CD PRO A 9 0.754 -1.754 -0.318 1.00 0.00 ATOM 107 CA PRO A 9 -0.696 -3.153 1.053 1.00 0.00 ATOM 108 HA PRO A 9 -0.872 -3.159 2.094 1.00 0.00 ATOM 109 CB PRO A 9 -1.529 -2.050 0.415 1.00 0.00 ATOM 110 1HB PRO A 9 -1.760 -1.284 1.124 1.00 0.00 ATOM 111 2HB PRO A 9 -2.446 -2.465 -0.005 1.00 0.00 ATOM 112 CG PRO A 9 -0.685 -1.504 -0.675 1.00 0.00 ATOM 113 1HG PRO A 9 -0.857 -0.448 -0.768 1.00 0.00 ATOM 114 2HG PRO A 9 -0.927 -2.007 -1.598 1.00 0.00 ATOM 115 1HD PRO A 9 1.210 -0.857 0.064 1.00 0.00 ATOM 116 2HD PRO A 9 1.296 -2.121 -1.179 1.00 0.00 ATOM 117 C PRO A 9 -1.146 -4.443 0.444 1.00 0.00 ATOM 118 O PRO A 9 -0.431 -5.177 -0.209 1.00 0.00 ATOM 119 N GLY A 10 -2.407 -4.612 0.589 1.00 0.00 ATOM 120 H GLY A 10 -2.918 -3.915 1.036 1.00 0.00 ATOM 121 CA GLY A 10 -3.124 -5.720 -0.018 1.00 0.00 ATOM 122 1HA GLY A 10 -3.838 -6.136 0.668 1.00 0.00 ATOM 123 2HA GLY A 10 -2.428 -6.463 -0.382 1.00 0.00 ATOM 124 C GLY A 10 -3.820 -4.997 -1.141 1.00 0.00 ATOM 125 O GLY A 10 -3.826 -5.407 -2.284 1.00 0.00 TER ENDMDL MODEL 6 ATOM 1 N MET A 1 -4.329 -3.897 -0.732 1.00 0.00 ATOM 2 H MET A 1 -4.239 -3.538 0.160 1.00 0.00 ATOM 3 CA MET A 1 -4.952 -3.076 -1.747 1.00 0.00 ATOM 4 HA MET A 1 -4.280 -3.023 -2.564 1.00 0.00 ATOM 5 CB MET A 1 -6.237 -3.795 -2.117 1.00 0.00 ATOM 6 1HB MET A 1 -6.967 -3.633 -1.340 1.00 0.00 ATOM 7 2HB MET A 1 -6.033 -4.854 -2.204 1.00 0.00 ATOM 8 CG MET A 1 -6.770 -3.259 -3.447 1.00 0.00 ATOM 9 1HG MET A 1 -5.960 -3.192 -4.158 1.00 0.00 ATOM 10 2HG MET A 1 -7.197 -2.280 -3.294 1.00 0.00 ATOM 11 SD MET A 1 -8.040 -4.381 -4.084 1.00 0.00 ATOM 12 CE MET A 1 -9.246 -3.114 -4.551 1.00 0.00 ATOM 13 1HE MET A 1 -9.801 -2.807 -3.676 1.00 0.00 ATOM 14 2HE MET A 1 -9.927 -3.517 -5.283 1.00 0.00 ATOM 15 3HE MET A 1 -8.728 -2.264 -4.974 1.00 0.00 ATOM 16 C MET A 1 -5.201 -1.667 -1.198 1.00 0.00 ATOM 17 O MET A 1 -6.320 -1.264 -0.950 1.00 0.00 ATOM 18 N ASP A 2 -4.141 -0.918 -1.023 1.00 0.00 ATOM 19 H ASP A 2 -3.256 -1.277 -1.241 1.00 0.00 ATOM 20 CA ASP A 2 -4.261 0.476 -0.504 1.00 0.00 ATOM 21 HA ASP A 2 -3.314 0.994 -0.604 1.00 0.00 ATOM 22 CB ASP A 2 -5.314 1.143 -1.389 1.00 0.00 ATOM 23 1HB ASP A 2 -6.298 0.831 -1.075 1.00 0.00 ATOM 24 2HB ASP A 2 -5.154 0.855 -2.417 1.00 0.00 ATOM 25 CG ASP A 2 -5.200 2.663 -1.260 1.00 0.00 ATOM 26 OD1 ASP A 2 -4.327 3.112 -0.534 1.00 0.00 ATOM 27 OD2 ASP A 2 -5.987 3.352 -1.887 1.00 0.00 ATOM 28 C ASP A 2 -4.704 0.480 0.960 1.00 0.00 ATOM 29 O ASP A 2 -5.861 0.687 1.270 1.00 0.00 ATOM 30 N CYS A 3 -3.785 0.279 1.860 1.00 0.00 ATOM 31 H CYS A 3 -2.857 0.135 1.587 1.00 0.00 ATOM 32 CA CYS A 3 -4.135 0.299 3.306 1.00 0.00 ATOM 33 HA CYS A 3 -4.986 -0.325 3.513 1.00 0.00 ATOM 34 CB CYS A 3 -2.896 -0.250 4.016 1.00 0.00 ATOM 35 1HB CYS A 3 -3.069 -0.269 5.082 1.00 0.00 ATOM 36 2HB CYS A 3 -2.046 0.379 3.799 1.00 0.00 ATOM 37 SG CYS A 3 -2.567 -1.931 3.433 1.00 0.00 ATOM 38 HG CYS A 3 -3.069 -2.538 3.981 1.00 0.00 ATOM 39 C CYS A 3 -4.428 1.730 3.730 1.00 0.00 ATOM 40 O CYS A 3 -5.062 2.483 3.017 1.00 0.00 ATOM 41 N SER A 4 -3.987 2.111 4.883 1.00 0.00 ATOM 42 H SER A 4 -3.489 1.489 5.449 1.00 0.00 ATOM 43 CA SER A 4 -4.252 3.488 5.354 1.00 0.00 ATOM 44 HA SER A 4 -5.088 3.915 4.822 1.00 0.00 ATOM 45 CB SER A 4 -4.611 3.300 6.820 1.00 0.00 ATOM 46 1HB SER A 4 -4.014 2.493 7.227 1.00 0.00 ATOM 47 2HB SER A 4 -5.654 3.043 6.901 1.00 0.00 ATOM 48 OG SER A 4 -4.362 4.506 7.531 1.00 0.00 ATOM 49 HG SER A 4 -4.564 5.241 6.948 1.00 0.00 ATOM 50 C SER A 4 -3.005 4.358 5.186 1.00 0.00 ATOM 51 O SER A 4 -2.575 5.027 6.104 1.00 0.00 ATOM 52 N GLY A 5 -2.425 4.364 4.012 1.00 0.00 ATOM 53 H GLY A 5 -2.794 3.825 3.280 1.00 0.00 ATOM 54 CA GLY A 5 -1.211 5.207 3.792 1.00 0.00 ATOM 55 1HA GLY A 5 -0.720 5.374 4.738 1.00 0.00 ATOM 56 2HA GLY A 5 -1.512 6.157 3.375 1.00 0.00 ATOM 57 C GLY A 5 -0.229 4.522 2.829 1.00 0.00 ATOM 58 O GLY A 5 0.842 5.034 2.570 1.00 0.00 ATOM 59 N CYS A 6 -0.565 3.374 2.299 1.00 0.00 ATOM 60 H CYS A 6 -1.423 2.962 2.515 1.00 0.00 ATOM 61 CA CYS A 6 0.374 2.686 1.367 1.00 0.00 ATOM 62 HA CYS A 6 -0.117 1.845 0.892 1.00 0.00 ATOM 63 CB CYS A 6 0.749 3.735 0.320 1.00 0.00 ATOM 64 1HB CYS A 6 1.819 3.887 0.330 1.00 0.00 ATOM 65 2HB CYS A 6 0.251 4.665 0.547 1.00 0.00 ATOM 66 SG CYS A 6 0.237 3.161 -1.318 1.00 0.00 ATOM 67 HG CYS A 6 0.091 2.214 -1.268 1.00 0.00 ATOM 68 C CYS A 6 1.616 2.228 2.141 1.00 0.00 ATOM 69 O CYS A 6 2.199 2.980 2.897 1.00 0.00 ATOM 70 N SER A 7 2.010 0.997 1.971 1.00 0.00 ATOM 71 H SER A 7 1.519 0.401 1.365 1.00 0.00 ATOM 72 CA SER A 7 3.187 0.460 2.695 1.00 0.00 ATOM 73 HA SER A 7 4.098 0.956 2.400 1.00 0.00 ATOM 74 CB SER A 7 2.882 0.685 4.169 1.00 0.00 ATOM 75 1HB SER A 7 2.556 -0.248 4.607 1.00 0.00 ATOM 76 2HB SER A 7 2.096 1.414 4.266 1.00 0.00 ATOM 77 OG SER A 7 4.048 1.158 4.829 1.00 0.00 ATOM 78 HG SER A 7 3.826 1.311 5.750 1.00 0.00 ATOM 79 C SER A 7 3.223 -1.018 2.378 1.00 0.00 ATOM 80 O SER A 7 3.243 -1.864 3.248 1.00 0.00 ATOM 81 N ARG A 8 3.142 -1.313 1.118 1.00 0.00 ATOM 82 H ARG A 8 3.067 -0.591 0.459 1.00 0.00 ATOM 83 CA ARG A 8 3.078 -2.715 0.667 1.00 0.00 ATOM 84 HA ARG A 8 3.108 -2.733 -0.401 1.00 0.00 ATOM 85 CB ARG A 8 4.289 -3.438 1.267 1.00 0.00 ATOM 86 1HB ARG A 8 4.280 -4.472 0.955 1.00 0.00 ATOM 87 2HB ARG A 8 4.248 -3.390 2.344 1.00 0.00 ATOM 88 CG ARG A 8 5.576 -2.774 0.773 1.00 0.00 ATOM 89 1HG ARG A 8 5.393 -2.298 -0.178 1.00 0.00 ATOM 90 2HG ARG A 8 6.345 -3.524 0.658 1.00 0.00 ATOM 91 CD ARG A 8 6.035 -1.723 1.785 1.00 0.00 ATOM 92 1HD ARG A 8 7.072 -1.871 2.038 1.00 0.00 ATOM 93 2HD ARG A 8 5.419 -1.765 2.674 1.00 0.00 ATOM 94 NE ARG A 8 5.860 -0.417 1.090 1.00 0.00 ATOM 95 HE ARG A 8 4.976 0.002 1.051 1.00 0.00 ATOM 96 CZ ARG A 8 6.884 0.166 0.530 1.00 0.00 ATOM 97 NH1 ARG A 8 7.291 1.328 0.963 1.00 0.00 ATOM 98 1HH1 ARG A 8 6.818 1.771 1.725 1.00 0.00 ATOM 99 2HH1 ARG A 8 8.076 1.774 0.535 1.00 0.00 ATOM 100 NH2 ARG A 8 7.502 -0.412 -0.464 1.00 0.00 ATOM 101 1HH2 ARG A 8 7.191 -1.302 -0.797 1.00 0.00 ATOM 102 2HH2 ARG A 8 8.287 0.035 -0.893 1.00 0.00 ATOM 103 C ARG A 8 1.756 -3.294 1.163 1.00 0.00 ATOM 104 O ARG A 8 1.717 -4.164 2.012 1.00 0.00 ATOM 105 N PRO A 9 0.711 -2.730 0.621 1.00 0.00 ATOM 106 CD PRO A 9 0.729 -1.683 -0.405 1.00 0.00 ATOM 107 CA PRO A 9 -0.673 -3.101 0.995 1.00 0.00 ATOM 108 HA PRO A 9 -0.822 -3.067 2.041 1.00 0.00 ATOM 109 CB PRO A 9 -1.534 -2.032 0.332 1.00 0.00 ATOM 110 1HB PRO A 9 -1.762 -1.236 1.012 1.00 0.00 ATOM 111 2HB PRO A 9 -2.453 -2.477 -0.053 1.00 0.00 ATOM 112 CG PRO A 9 -0.713 -1.531 -0.796 1.00 0.00 ATOM 113 1HG PRO A 9 -0.934 -0.494 -0.970 1.00 0.00 ATOM 114 2HG PRO A 9 -0.921 -2.116 -1.677 1.00 0.00 ATOM 115 1HD PRO A 9 1.110 -0.765 0.007 1.00 0.00 ATOM 116 2HD PRO A 9 1.319 -1.994 -1.257 1.00 0.00 ATOM 117 C PRO A 9 -1.124 -4.421 0.454 1.00 0.00 ATOM 118 O PRO A 9 -0.417 -5.171 -0.190 1.00 0.00 ATOM 119 N GLY A 10 -2.376 -4.600 0.641 1.00 0.00 ATOM 120 H GLY A 10 -2.884 -3.893 1.074 1.00 0.00 ATOM 121 CA GLY A 10 -3.094 -5.741 0.099 1.00 0.00 ATOM 122 1HA GLY A 10 -3.789 -6.135 0.817 1.00 0.00 ATOM 123 2HA GLY A 10 -2.397 -6.492 -0.249 1.00 0.00 ATOM 124 C GLY A 10 -3.821 -5.073 -1.037 1.00 0.00 ATOM 125 O GLY A 10 -3.841 -5.528 -2.164 1.00 0.00 TER ENDMDL MODEL 7 ATOM 1 N MET A 1 -3.968 -3.554 -1.425 1.00 0.00 ATOM 2 H MET A 1 -3.025 -3.330 -1.364 1.00 0.00 ATOM 3 CA MET A 1 -4.824 -2.618 -2.164 1.00 0.00 ATOM 4 HA MET A 1 -4.254 -2.253 -2.981 1.00 0.00 ATOM 5 CB MET A 1 -6.063 -3.381 -2.641 1.00 0.00 ATOM 6 1HB MET A 1 -6.719 -3.562 -1.803 1.00 0.00 ATOM 7 2HB MET A 1 -5.761 -4.324 -3.072 1.00 0.00 ATOM 8 CG MET A 1 -6.800 -2.551 -3.693 1.00 0.00 ATOM 9 1HG MET A 1 -7.075 -1.596 -3.271 1.00 0.00 ATOM 10 2HG MET A 1 -7.691 -3.075 -4.006 1.00 0.00 ATOM 11 SD MET A 1 -5.720 -2.289 -5.121 1.00 0.00 ATOM 12 CE MET A 1 -6.199 -0.578 -5.459 1.00 0.00 ATOM 13 1HE MET A 1 -5.477 0.091 -5.011 1.00 0.00 ATOM 14 2HE MET A 1 -7.173 -0.386 -5.038 1.00 0.00 ATOM 15 3HE MET A 1 -6.231 -0.418 -6.528 1.00 0.00 ATOM 16 C MET A 1 -5.174 -1.440 -1.251 1.00 0.00 ATOM 17 O MET A 1 -6.303 -1.258 -0.838 1.00 0.00 ATOM 18 N ASP A 2 -4.182 -0.639 -0.940 1.00 0.00 ATOM 19 H ASP A 2 -3.287 -0.822 -1.295 1.00 0.00 ATOM 20 CA ASP A 2 -4.391 0.545 -0.057 1.00 0.00 ATOM 21 HA ASP A 2 -3.460 1.089 0.066 1.00 0.00 ATOM 22 CB ASP A 2 -5.412 1.415 -0.793 1.00 0.00 ATOM 23 1HB ASP A 2 -6.379 0.938 -0.762 1.00 0.00 ATOM 24 2HB ASP A 2 -5.101 1.541 -1.820 1.00 0.00 ATOM 25 CG ASP A 2 -5.499 2.784 -0.114 1.00 0.00 ATOM 26 OD1 ASP A 2 -4.474 3.264 0.342 1.00 0.00 ATOM 27 OD2 ASP A 2 -6.589 3.328 -0.062 1.00 0.00 ATOM 28 C ASP A 2 -4.938 0.108 1.305 1.00 0.00 ATOM 29 O ASP A 2 -6.113 -0.156 1.458 1.00 0.00 ATOM 30 N CYS A 3 -4.090 0.031 2.295 1.00 0.00 ATOM 31 H CYS A 3 -3.146 0.250 2.149 1.00 0.00 ATOM 32 CA CYS A 3 -4.559 -0.386 3.648 1.00 0.00 ATOM 33 HA CYS A 3 -5.619 -0.435 3.673 1.00 0.00 ATOM 34 CB CYS A 3 -3.954 -1.767 3.867 1.00 0.00 ATOM 35 1HB CYS A 3 -3.359 -1.757 4.768 1.00 0.00 ATOM 36 2HB CYS A 3 -3.328 -2.020 3.025 1.00 0.00 ATOM 37 SG CYS A 3 -5.278 -2.992 4.029 1.00 0.00 ATOM 38 HG CYS A 3 -4.927 -3.844 3.764 1.00 0.00 ATOM 39 C CYS A 3 -4.072 0.584 4.708 1.00 0.00 ATOM 40 O CYS A 3 -4.337 0.427 5.883 1.00 0.00 ATOM 41 N SER A 4 -3.359 1.577 4.300 1.00 0.00 ATOM 42 H SER A 4 -3.160 1.665 3.358 1.00 0.00 ATOM 43 CA SER A 4 -2.835 2.565 5.273 1.00 0.00 ATOM 44 HA SER A 4 -3.642 3.041 5.804 1.00 0.00 ATOM 45 CB SER A 4 -2.012 1.715 6.223 1.00 0.00 ATOM 46 1HB SER A 4 -1.432 1.008 5.644 1.00 0.00 ATOM 47 2HB SER A 4 -2.673 1.177 6.880 1.00 0.00 ATOM 48 OG SER A 4 -1.152 2.549 6.989 1.00 0.00 ATOM 49 HG SER A 4 -0.585 3.029 6.382 1.00 0.00 ATOM 50 C SER A 4 -1.956 3.603 4.567 1.00 0.00 ATOM 51 O SER A 4 -0.813 3.808 4.926 1.00 0.00 ATOM 52 N GLY A 5 -2.478 4.257 3.566 1.00 0.00 ATOM 53 H GLY A 5 -3.401 4.077 3.291 1.00 0.00 ATOM 54 CA GLY A 5 -1.669 5.280 2.841 1.00 0.00 ATOM 55 1HA GLY A 5 -1.320 6.024 3.539 1.00 0.00 ATOM 56 2HA GLY A 5 -2.282 5.752 2.085 1.00 0.00 ATOM 57 C GLY A 5 -0.468 4.605 2.177 1.00 0.00 ATOM 58 O GLY A 5 0.629 5.126 2.181 1.00 0.00 ATOM 59 N CYS A 6 -0.667 3.447 1.611 1.00 0.00 ATOM 60 H CYS A 6 -1.558 3.043 1.623 1.00 0.00 ATOM 61 CA CYS A 6 0.460 2.731 0.948 1.00 0.00 ATOM 62 HA CYS A 6 0.094 1.830 0.472 1.00 0.00 ATOM 63 CB CYS A 6 0.991 3.704 -0.106 1.00 0.00 ATOM 64 1HB CYS A 6 1.665 3.183 -0.770 1.00 0.00 ATOM 65 2HB CYS A 6 1.517 4.511 0.381 1.00 0.00 ATOM 66 SG CYS A 6 -0.394 4.376 -1.060 1.00 0.00 ATOM 67 HG CYS A 6 -0.218 4.217 -1.990 1.00 0.00 ATOM 68 C CYS A 6 1.548 2.399 1.978 1.00 0.00 ATOM 69 O CYS A 6 1.998 3.252 2.719 1.00 0.00 ATOM 70 N SER A 7 1.956 1.161 2.039 1.00 0.00 ATOM 71 H SER A 7 1.569 0.485 1.444 1.00 0.00 ATOM 72 CA SER A 7 2.984 0.727 3.013 1.00 0.00 ATOM 73 HA SER A 7 3.953 1.146 2.788 1.00 0.00 ATOM 74 CB SER A 7 2.471 1.192 4.368 1.00 0.00 ATOM 75 1HB SER A 7 2.150 0.331 4.935 1.00 0.00 ATOM 76 2HB SER A 7 1.634 1.855 4.226 1.00 0.00 ATOM 77 OG SER A 7 3.507 1.879 5.059 1.00 0.00 ATOM 78 HG SER A 7 3.694 1.396 5.868 1.00 0.00 ATOM 79 C SER A 7 2.990 -0.783 2.935 1.00 0.00 ATOM 80 O SER A 7 2.857 -1.485 3.917 1.00 0.00 ATOM 81 N ARG A 8 3.059 -1.269 1.735 1.00 0.00 ATOM 82 H ARG A 8 3.106 -0.658 0.971 1.00 0.00 ATOM 83 CA ARG A 8 2.981 -2.721 1.498 1.00 0.00 ATOM 84 HA ARG A 8 3.267 -2.924 0.488 1.00 0.00 ATOM 85 CB ARG A 8 3.935 -3.390 2.494 1.00 0.00 ATOM 86 1HB ARG A 8 4.138 -4.399 2.170 1.00 0.00 ATOM 87 2HB ARG A 8 3.476 -3.415 3.472 1.00 0.00 ATOM 88 CG ARG A 8 5.251 -2.606 2.565 1.00 0.00 ATOM 89 1HG ARG A 8 6.007 -3.219 3.030 1.00 0.00 ATOM 90 2HG ARG A 8 5.108 -1.710 3.149 1.00 0.00 ATOM 91 CD ARG A 8 5.707 -2.228 1.152 1.00 0.00 ATOM 92 1HD ARG A 8 5.134 -2.769 0.415 1.00 0.00 ATOM 93 2HD ARG A 8 6.763 -2.431 1.033 1.00 0.00 ATOM 94 NE ARG A 8 5.440 -0.767 1.036 1.00 0.00 ATOM 95 HE ARG A 8 5.004 -0.287 1.771 1.00 0.00 ATOM 96 CZ ARG A 8 5.785 -0.126 -0.047 1.00 0.00 ATOM 97 NH1 ARG A 8 5.205 1.003 -0.350 1.00 0.00 ATOM 98 1HH1 ARG A 8 4.496 1.377 0.248 1.00 0.00 ATOM 99 2HH1 ARG A 8 5.470 1.494 -1.180 1.00 0.00 ATOM 100 NH2 ARG A 8 6.710 -0.615 -0.828 1.00 0.00 ATOM 101 1HH2 ARG A 8 7.154 -1.480 -0.596 1.00 0.00 ATOM 102 2HH2 ARG A 8 6.974 -0.123 -1.658 1.00 0.00 ATOM 103 C ARG A 8 1.527 -3.124 1.728 1.00 0.00 ATOM 104 O ARG A 8 1.204 -3.845 2.652 1.00 0.00 ATOM 105 N PRO A 9 0.699 -2.570 0.886 1.00 0.00 ATOM 106 CD PRO A 9 1.060 -1.700 -0.240 1.00 0.00 ATOM 107 CA PRO A 9 -0.765 -2.768 0.972 1.00 0.00 ATOM 108 HA PRO A 9 -1.121 -2.563 1.946 1.00 0.00 ATOM 109 CB PRO A 9 -1.334 -1.721 0.012 1.00 0.00 ATOM 110 1HB PRO A 9 -1.597 -0.819 0.533 1.00 0.00 ATOM 111 2HB PRO A 9 -2.197 -2.114 -0.509 1.00 0.00 ATOM 112 CG PRO A 9 -0.239 -1.456 -0.952 1.00 0.00 ATOM 113 1HG PRO A 9 -0.286 -0.433 -1.279 1.00 0.00 ATOM 114 2HG PRO A 9 -0.331 -2.125 -1.791 1.00 0.00 ATOM 115 1HD PRO A 9 1.471 -0.774 0.122 1.00 0.00 ATOM 116 2HD PRO A 9 1.762 -2.198 -0.896 1.00 0.00 ATOM 117 C PRO A 9 -1.239 -4.131 0.540 1.00 0.00 ATOM 118 O PRO A 9 -0.502 -5.060 0.276 1.00 0.00 ATOM 119 N GLY A 10 -2.513 -4.165 0.417 1.00 0.00 ATOM 120 H GLY A 10 -3.018 -3.336 0.587 1.00 0.00 ATOM 121 CA GLY A 10 -3.270 -5.324 -0.057 1.00 0.00 ATOM 122 1HA GLY A 10 -3.660 -5.887 0.771 1.00 0.00 ATOM 123 2HA GLY A 10 -2.658 -5.932 -0.708 1.00 0.00 ATOM 124 C GLY A 10 -4.388 -4.632 -0.806 1.00 0.00 ATOM 125 O GLY A 10 -5.549 -4.988 -0.762 1.00 0.00 TER ENDMDL MODEL 8 ATOM 1 N MET A 1 -3.993 -3.367 -1.242 1.00 0.00 ATOM 2 H MET A 1 -3.041 -3.173 -1.225 1.00 0.00 ATOM 3 CA MET A 1 -4.854 -2.393 -1.924 1.00 0.00 ATOM 4 HA MET A 1 -4.317 -2.045 -2.769 1.00 0.00 ATOM 5 CB MET A 1 -6.147 -3.103 -2.335 1.00 0.00 ATOM 6 1HB MET A 1 -6.750 -3.287 -1.459 1.00 0.00 ATOM 7 2HB MET A 1 -5.905 -4.042 -2.811 1.00 0.00 ATOM 8 CG MET A 1 -6.926 -2.219 -3.312 1.00 0.00 ATOM 9 1HG MET A 1 -7.212 -1.302 -2.818 1.00 0.00 ATOM 10 2HG MET A 1 -7.811 -2.742 -3.641 1.00 0.00 ATOM 11 SD MET A 1 -5.885 -1.836 -4.742 1.00 0.00 ATOM 12 CE MET A 1 -6.977 -0.604 -5.493 1.00 0.00 ATOM 13 1HE MET A 1 -6.543 -0.257 -6.420 1.00 0.00 ATOM 14 2HE MET A 1 -7.098 0.230 -4.821 1.00 0.00 ATOM 15 3HE MET A 1 -7.943 -1.051 -5.686 1.00 0.00 ATOM 16 C MET A 1 -5.106 -1.206 -0.990 1.00 0.00 ATOM 17 O MET A 1 -6.202 -0.983 -0.513 1.00 0.00 ATOM 18 N ASP A 2 -4.070 -0.441 -0.741 1.00 0.00 ATOM 19 H ASP A 2 -3.207 -0.656 -1.151 1.00 0.00 ATOM 20 CA ASP A 2 -4.182 0.752 0.148 1.00 0.00 ATOM 21 HA ASP A 2 -3.200 1.179 0.327 1.00 0.00 ATOM 22 CB ASP A 2 -5.045 1.745 -0.631 1.00 0.00 ATOM 23 1HB ASP A 2 -5.745 2.218 0.041 1.00 0.00 ATOM 24 2HB ASP A 2 -5.587 1.220 -1.405 1.00 0.00 ATOM 25 CG ASP A 2 -4.150 2.812 -1.265 1.00 0.00 ATOM 26 OD1 ASP A 2 -4.413 3.179 -2.398 1.00 0.00 ATOM 27 OD2 ASP A 2 -3.217 3.242 -0.607 1.00 0.00 ATOM 28 C ASP A 2 -4.852 0.382 1.473 1.00 0.00 ATOM 29 O ASP A 2 -6.042 0.555 1.648 1.00 0.00 ATOM 30 N CYS A 3 -4.095 -0.112 2.413 1.00 0.00 ATOM 31 H CYS A 3 -3.136 -0.235 2.256 1.00 0.00 ATOM 32 CA CYS A 3 -4.687 -0.478 3.732 1.00 0.00 ATOM 33 HA CYS A 3 -5.727 -0.663 3.634 1.00 0.00 ATOM 34 CB CYS A 3 -3.953 -1.743 4.162 1.00 0.00 ATOM 35 1HB CYS A 3 -3.475 -1.572 5.114 1.00 0.00 ATOM 36 2HB CYS A 3 -3.205 -1.990 3.423 1.00 0.00 ATOM 37 SG CYS A 3 -5.133 -3.108 4.312 1.00 0.00 ATOM 38 HG CYS A 3 -5.698 -3.098 3.536 1.00 0.00 ATOM 39 C CYS A 3 -4.461 0.639 4.735 1.00 0.00 ATOM 40 O CYS A 3 -4.860 0.560 5.879 1.00 0.00 ATOM 41 N SER A 4 -3.821 1.673 4.305 1.00 0.00 ATOM 42 H SER A 4 -3.514 1.693 3.389 1.00 0.00 ATOM 43 CA SER A 4 -3.544 2.814 5.209 1.00 0.00 ATOM 44 HA SER A 4 -4.462 3.249 5.566 1.00 0.00 ATOM 45 CB SER A 4 -2.780 2.175 6.354 1.00 0.00 ATOM 46 1HB SER A 4 -2.059 1.478 5.945 1.00 0.00 ATOM 47 2HB SER A 4 -3.470 1.643 6.985 1.00 0.00 ATOM 48 OG SER A 4 -2.122 3.183 7.111 1.00 0.00 ATOM 49 HG SER A 4 -2.721 3.475 7.801 1.00 0.00 ATOM 50 C SER A 4 -2.682 3.856 4.488 1.00 0.00 ATOM 51 O SER A 4 -1.856 4.516 5.087 1.00 0.00 ATOM 52 N GLY A 5 -2.866 4.001 3.204 1.00 0.00 ATOM 53 H GLY A 5 -3.534 3.453 2.741 1.00 0.00 ATOM 54 CA GLY A 5 -2.057 4.990 2.438 1.00 0.00 ATOM 55 1HA GLY A 5 -1.507 5.616 3.124 1.00 0.00 ATOM 56 2HA GLY A 5 -2.713 5.602 1.834 1.00 0.00 ATOM 57 C GLY A 5 -1.075 4.242 1.535 1.00 0.00 ATOM 58 O GLY A 5 -1.153 4.307 0.324 1.00 0.00 ATOM 59 N CYS A 6 -0.152 3.526 2.118 1.00 0.00 ATOM 60 H CYS A 6 -0.113 3.485 3.096 1.00 0.00 ATOM 61 CA CYS A 6 0.837 2.762 1.303 1.00 0.00 ATOM 62 HA CYS A 6 0.345 1.941 0.795 1.00 0.00 ATOM 63 CB CYS A 6 1.385 3.763 0.285 1.00 0.00 ATOM 64 1HB CYS A 6 2.460 3.810 0.367 1.00 0.00 ATOM 65 2HB CYS A 6 0.966 4.740 0.480 1.00 0.00 ATOM 66 SG CYS A 6 0.930 3.234 -1.386 1.00 0.00 ATOM 67 HG CYS A 6 1.095 2.291 -1.453 1.00 0.00 ATOM 68 C CYS A 6 1.963 2.245 2.211 1.00 0.00 ATOM 69 O CYS A 6 2.495 2.972 3.027 1.00 0.00 ATOM 70 N SER A 7 2.311 0.992 2.093 1.00 0.00 ATOM 71 H SER A 7 1.861 0.410 1.442 1.00 0.00 ATOM 72 CA SER A 7 3.367 0.399 2.946 1.00 0.00 ATOM 73 HA SER A 7 4.344 0.786 2.703 1.00 0.00 ATOM 74 CB SER A 7 2.964 0.745 4.372 1.00 0.00 ATOM 75 1HB SER A 7 2.694 -0.165 4.888 1.00 0.00 ATOM 76 2HB SER A 7 2.117 1.408 4.355 1.00 0.00 ATOM 77 OG SER A 7 4.051 1.380 5.032 1.00 0.00 ATOM 78 HG SER A 7 3.945 1.244 5.976 1.00 0.00 ATOM 79 C SER A 7 3.274 -1.091 2.715 1.00 0.00 ATOM 80 O SER A 7 3.053 -1.870 3.619 1.00 0.00 ATOM 81 N ARG A 8 3.343 -1.462 1.475 1.00 0.00 ATOM 82 H ARG A 8 3.450 -0.787 0.774 1.00 0.00 ATOM 83 CA ARG A 8 3.163 -2.876 1.098 1.00 0.00 ATOM 84 HA ARG A 8 3.326 -2.974 0.046 1.00 0.00 ATOM 85 CB ARG A 8 4.182 -3.695 1.900 1.00 0.00 ATOM 86 1HB ARG A 8 4.044 -4.744 1.687 1.00 0.00 ATOM 87 2HB ARG A 8 4.040 -3.522 2.955 1.00 0.00 ATOM 88 CG ARG A 8 5.599 -3.281 1.498 1.00 0.00 ATOM 89 1HG ARG A 8 5.606 -2.983 0.460 1.00 0.00 ATOM 90 2HG ARG A 8 6.270 -4.116 1.638 1.00 0.00 ATOM 91 CD ARG A 8 6.057 -2.107 2.365 1.00 0.00 ATOM 92 1HD ARG A 8 7.066 -2.266 2.712 1.00 0.00 ATOM 93 2HD ARG A 8 5.384 -1.975 3.203 1.00 0.00 ATOM 94 NE ARG A 8 6.009 -0.924 1.464 1.00 0.00 ATOM 95 HE ARG A 8 5.235 -0.322 1.487 1.00 0.00 ATOM 96 CZ ARG A 8 6.996 -0.687 0.643 1.00 0.00 ATOM 97 NH1 ARG A 8 6.766 -0.567 -0.636 1.00 0.00 ATOM 98 1HH1 ARG A 8 5.834 -0.658 -0.987 1.00 0.00 ATOM 99 2HH1 ARG A 8 7.522 -0.387 -1.265 1.00 0.00 ATOM 100 NH2 ARG A 8 8.212 -0.572 1.101 1.00 0.00 ATOM 101 1HH2 ARG A 8 8.387 -0.662 2.081 1.00 0.00 ATOM 102 2HH2 ARG A 8 8.968 -0.390 0.473 1.00 0.00 ATOM 103 C ARG A 8 1.723 -3.243 1.442 1.00 0.00 ATOM 104 O ARG A 8 1.457 -4.022 2.335 1.00 0.00 ATOM 105 N PRO A 9 0.845 -2.592 0.728 1.00 0.00 ATOM 106 CD PRO A 9 1.141 -1.651 -0.357 1.00 0.00 ATOM 107 CA PRO A 9 -0.614 -2.742 0.937 1.00 0.00 ATOM 108 HA PRO A 9 -0.876 -2.558 1.944 1.00 0.00 ATOM 109 CB PRO A 9 -1.223 -1.643 0.062 1.00 0.00 ATOM 110 1HB PRO A 9 -1.412 -0.752 0.631 1.00 0.00 ATOM 111 2HB PRO A 9 -2.139 -1.990 -0.400 1.00 0.00 ATOM 112 CG PRO A 9 -0.200 -1.381 -0.978 1.00 0.00 ATOM 113 1HG PRO A 9 -0.255 -0.354 -1.289 1.00 0.00 ATOM 114 2HG PRO A 9 -0.360 -2.041 -1.815 1.00 0.00 ATOM 115 1HD PRO A 9 1.564 -0.744 0.041 1.00 0.00 ATOM 116 2HD PRO A 9 1.807 -2.098 -1.082 1.00 0.00 ATOM 117 C PRO A 9 -1.173 -4.076 0.511 1.00 0.00 ATOM 118 O PRO A 9 -0.492 -5.020 0.163 1.00 0.00 ATOM 119 N GLY A 10 -2.452 -4.065 0.491 1.00 0.00 ATOM 120 H GLY A 10 -2.913 -3.225 0.721 1.00 0.00 ATOM 121 CA GLY A 10 -3.281 -5.187 0.052 1.00 0.00 ATOM 122 1HA GLY A 10 -3.643 -5.744 0.896 1.00 0.00 ATOM 123 2HA GLY A 10 -2.732 -5.809 -0.640 1.00 0.00 ATOM 124 C GLY A 10 -4.414 -4.445 -0.624 1.00 0.00 ATOM 125 O GLY A 10 -5.581 -4.771 -0.533 1.00 0.00 TER ENDMDL MODEL 9 ATOM 1 N MET A 1 -4.055 -3.881 -1.298 1.00 0.00 ATOM 2 H MET A 1 -3.116 -3.636 -1.258 1.00 0.00 ATOM 3 CA MET A 1 -4.924 -3.022 -2.111 1.00 0.00 ATOM 4 HA MET A 1 -4.386 -2.787 -2.991 1.00 0.00 ATOM 5 CB MET A 1 -6.208 -3.794 -2.428 1.00 0.00 ATOM 6 1HB MET A 1 -6.815 -3.863 -1.539 1.00 0.00 ATOM 7 2HB MET A 1 -5.956 -4.787 -2.772 1.00 0.00 ATOM 8 CG MET A 1 -6.989 -3.058 -3.519 1.00 0.00 ATOM 9 1HG MET A 1 -6.643 -2.037 -3.583 1.00 0.00 ATOM 10 2HG MET A 1 -8.041 -3.067 -3.276 1.00 0.00 ATOM 11 SD MET A 1 -6.728 -3.885 -5.108 1.00 0.00 ATOM 12 CE MET A 1 -6.797 -2.406 -6.148 1.00 0.00 ATOM 13 1HE MET A 1 -6.918 -1.532 -5.522 1.00 0.00 ATOM 14 2HE MET A 1 -7.633 -2.478 -6.825 1.00 0.00 ATOM 15 3HE MET A 1 -5.881 -2.324 -6.717 1.00 0.00 ATOM 16 C MET A 1 -5.195 -1.720 -1.351 1.00 0.00 ATOM 17 O MET A 1 -6.289 -1.455 -0.894 1.00 0.00 ATOM 18 N ASP A 2 -4.173 -0.904 -1.233 1.00 0.00 ATOM 19 H ASP A 2 -3.311 -1.155 -1.623 1.00 0.00 ATOM 20 CA ASP A 2 -4.302 0.404 -0.524 1.00 0.00 ATOM 21 HA ASP A 2 -3.415 1.008 -0.692 1.00 0.00 ATOM 22 CB ASP A 2 -5.520 1.082 -1.150 1.00 0.00 ATOM 23 1HB ASP A 2 -6.245 1.301 -0.380 1.00 0.00 ATOM 24 2HB ASP A 2 -5.962 0.423 -1.885 1.00 0.00 ATOM 25 CG ASP A 2 -5.089 2.384 -1.826 1.00 0.00 ATOM 26 OD1 ASP A 2 -5.215 3.423 -1.200 1.00 0.00 ATOM 27 OD2 ASP A 2 -4.638 2.321 -2.958 1.00 0.00 ATOM 28 C ASP A 2 -4.508 0.197 0.976 1.00 0.00 ATOM 29 O ASP A 2 -5.613 0.005 1.446 1.00 0.00 ATOM 30 N CYS A 3 -3.448 0.262 1.729 1.00 0.00 ATOM 31 H CYS A 3 -2.574 0.437 1.323 1.00 0.00 ATOM 32 CA CYS A 3 -3.557 0.101 3.205 1.00 0.00 ATOM 33 HA CYS A 3 -4.273 -0.654 3.470 1.00 0.00 ATOM 34 CB CYS A 3 -2.157 -0.318 3.657 1.00 0.00 ATOM 35 1HB CYS A 3 -1.571 0.562 3.877 1.00 0.00 ATOM 36 2HB CYS A 3 -1.679 -0.882 2.871 1.00 0.00 ATOM 37 SG CYS A 3 -2.286 -1.344 5.143 1.00 0.00 ATOM 38 HG CYS A 3 -1.525 -1.928 5.168 1.00 0.00 ATOM 39 C CYS A 3 -3.950 1.430 3.827 1.00 0.00 ATOM 40 O CYS A 3 -4.753 2.169 3.292 1.00 0.00 ATOM 41 N SER A 4 -3.399 1.738 4.953 1.00 0.00 ATOM 42 H SER A 4 -2.759 1.125 5.370 1.00 0.00 ATOM 43 CA SER A 4 -3.741 3.012 5.619 1.00 0.00 ATOM 44 HA SER A 4 -4.746 3.313 5.372 1.00 0.00 ATOM 45 CB SER A 4 -3.644 2.670 7.096 1.00 0.00 ATOM 46 1HB SER A 4 -2.808 1.999 7.245 1.00 0.00 ATOM 47 2HB SER A 4 -4.553 2.176 7.403 1.00 0.00 ATOM 48 OG SER A 4 -3.467 3.860 7.852 1.00 0.00 ATOM 49 HG SER A 4 -2.598 3.827 8.257 1.00 0.00 ATOM 50 C SER A 4 -2.735 4.095 5.217 1.00 0.00 ATOM 51 O SER A 4 -2.217 4.818 6.044 1.00 0.00 ATOM 52 N GLY A 5 -2.461 4.207 3.944 1.00 0.00 ATOM 53 H GLY A 5 -2.896 3.612 3.298 1.00 0.00 ATOM 54 CA GLY A 5 -1.495 5.239 3.469 1.00 0.00 ATOM 55 1HA GLY A 5 -1.045 5.728 4.320 1.00 0.00 ATOM 56 2HA GLY A 5 -2.016 5.969 2.867 1.00 0.00 ATOM 57 C GLY A 5 -0.398 4.574 2.630 1.00 0.00 ATOM 58 O GLY A 5 0.716 5.052 2.564 1.00 0.00 ATOM 59 N CYS A 6 -0.699 3.472 1.994 1.00 0.00 ATOM 60 H CYS A 6 -1.598 3.093 2.062 1.00 0.00 ATOM 61 CA CYS A 6 0.333 2.781 1.171 1.00 0.00 ATOM 62 HA CYS A 6 -0.104 1.927 0.662 1.00 0.00 ATOM 63 CB CYS A 6 0.796 3.822 0.153 1.00 0.00 ATOM 64 1HB CYS A 6 1.876 3.836 0.117 1.00 0.00 ATOM 65 2HB CYS A 6 0.433 4.797 0.444 1.00 0.00 ATOM 66 SG CYS A 6 0.144 3.400 -1.482 1.00 0.00 ATOM 67 HG CYS A 6 0.074 4.210 -1.992 1.00 0.00 ATOM 68 C CYS A 6 1.495 2.350 2.075 1.00 0.00 ATOM 69 O CYS A 6 1.998 3.130 2.859 1.00 0.00 ATOM 70 N SER A 7 1.906 1.114 1.992 1.00 0.00 ATOM 71 H SER A 7 1.477 0.491 1.368 1.00 0.00 ATOM 72 CA SER A 7 3.003 0.609 2.852 1.00 0.00 ATOM 73 HA SER A 7 3.954 1.039 2.582 1.00 0.00 ATOM 74 CB SER A 7 2.597 0.994 4.265 1.00 0.00 ATOM 75 1HB SER A 7 1.540 0.799 4.390 1.00 0.00 ATOM 76 2HB SER A 7 2.790 2.039 4.420 1.00 0.00 ATOM 77 OG SER A 7 3.350 0.231 5.199 1.00 0.00 ATOM 78 HG SER A 7 3.736 0.837 5.836 1.00 0.00 ATOM 79 C SER A 7 2.992 -0.892 2.683 1.00 0.00 ATOM 80 O SER A 7 2.853 -1.646 3.624 1.00 0.00 ATOM 81 N ARG A 8 3.045 -1.305 1.457 1.00 0.00 ATOM 82 H ARG A 8 3.089 -0.651 0.730 1.00 0.00 ATOM 83 CA ARG A 8 2.947 -2.741 1.135 1.00 0.00 ATOM 84 HA ARG A 8 3.128 -2.867 0.090 1.00 0.00 ATOM 85 CB ARG A 8 4.002 -3.469 1.975 1.00 0.00 ATOM 86 1HB ARG A 8 4.003 -4.517 1.716 1.00 0.00 ATOM 87 2HB ARG A 8 3.775 -3.360 3.023 1.00 0.00 ATOM 88 CG ARG A 8 5.384 -2.878 1.684 1.00 0.00 ATOM 89 1HG ARG A 8 5.378 -2.416 0.708 1.00 0.00 ATOM 90 2HG ARG A 8 6.122 -3.666 1.705 1.00 0.00 ATOM 91 CD ARG A 8 5.727 -1.828 2.741 1.00 0.00 ATOM 92 1HD ARG A 8 6.698 -2.026 3.169 1.00 0.00 ATOM 93 2HD ARG A 8 4.971 -1.810 3.514 1.00 0.00 ATOM 94 NE ARG A 8 5.751 -0.534 2.002 1.00 0.00 ATOM 95 HE ARG A 8 4.933 -0.192 1.584 1.00 0.00 ATOM 96 CZ ARG A 8 6.863 0.143 1.907 1.00 0.00 ATOM 97 NH1 ARG A 8 7.090 1.143 2.715 1.00 0.00 ATOM 98 1HH1 ARG A 8 6.411 1.391 3.405 1.00 0.00 ATOM 99 2HH1 ARG A 8 7.942 1.660 2.641 1.00 0.00 ATOM 100 NH2 ARG A 8 7.750 -0.182 1.006 1.00 0.00 ATOM 101 1HH2 ARG A 8 7.576 -0.949 0.387 1.00 0.00 ATOM 102 2HH2 ARG A 8 8.602 0.336 0.933 1.00 0.00 ATOM 103 C ARG A 8 1.527 -3.177 1.476 1.00 0.00 ATOM 104 O ARG A 8 1.293 -3.939 2.394 1.00 0.00 ATOM 105 N PRO A 9 0.624 -2.610 0.725 1.00 0.00 ATOM 106 CD PRO A 9 0.880 -1.693 -0.391 1.00 0.00 ATOM 107 CA PRO A 9 -0.828 -2.840 0.914 1.00 0.00 ATOM 108 HA PRO A 9 -1.130 -2.582 1.894 1.00 0.00 ATOM 109 CB PRO A 9 -1.481 -1.867 -0.074 1.00 0.00 ATOM 110 1HB PRO A 9 -1.750 -0.946 0.406 1.00 0.00 ATOM 111 2HB PRO A 9 -2.354 -2.317 -0.530 1.00 0.00 ATOM 112 CG PRO A 9 -0.441 -1.627 -1.099 1.00 0.00 ATOM 113 1HG PRO A 9 -0.573 -0.653 -1.532 1.00 0.00 ATOM 114 2HG PRO A 9 -0.496 -2.392 -1.857 1.00 0.00 ATOM 115 1HD PRO A 9 1.163 -0.721 -0.018 1.00 0.00 ATOM 116 2HD PRO A 9 1.643 -2.090 -1.048 1.00 0.00 ATOM 117 C PRO A 9 -1.287 -4.241 0.602 1.00 0.00 ATOM 118 O PRO A 9 -0.538 -5.167 0.357 1.00 0.00 ATOM 119 N GLY A 10 -2.564 -4.316 0.550 1.00 0.00 ATOM 120 H GLY A 10 -3.083 -3.490 0.687 1.00 0.00 ATOM 121 CA GLY A 10 -3.308 -5.524 0.195 1.00 0.00 ATOM 122 1HA GLY A 10 -3.677 -6.016 1.077 1.00 0.00 ATOM 123 2HA GLY A 10 -2.696 -6.178 -0.408 1.00 0.00 ATOM 124 C GLY A 10 -4.447 -4.918 -0.595 1.00 0.00 ATOM 125 O GLY A 10 -5.597 -5.305 -0.522 1.00 0.00 TER ENDMDL MODEL 10 ATOM 1 N MET A 1 -4.036 -3.869 -1.302 1.00 0.00 ATOM 2 H MET A 1 -3.098 -3.625 -1.254 1.00 0.00 ATOM 3 CA MET A 1 -4.898 -3.011 -2.122 1.00 0.00 ATOM 4 HA MET A 1 -4.349 -2.769 -2.994 1.00 0.00 ATOM 5 CB MET A 1 -6.173 -3.788 -2.463 1.00 0.00 ATOM 6 1HB MET A 1 -6.777 -3.896 -1.574 1.00 0.00 ATOM 7 2HB MET A 1 -5.910 -4.764 -2.840 1.00 0.00 ATOM 8 CG MET A 1 -6.967 -3.026 -3.526 1.00 0.00 ATOM 9 1HG MET A 1 -6.399 -2.168 -3.853 1.00 0.00 ATOM 10 2HG MET A 1 -7.907 -2.697 -3.107 1.00 0.00 ATOM 11 SD MET A 1 -7.284 -4.114 -4.937 1.00 0.00 ATOM 12 CE MET A 1 -9.037 -3.714 -5.142 1.00 0.00 ATOM 13 1HE MET A 1 -9.278 -3.686 -6.196 1.00 0.00 ATOM 14 2HE MET A 1 -9.242 -2.750 -4.704 1.00 0.00 ATOM 15 3HE MET A 1 -9.637 -4.466 -4.650 1.00 0.00 ATOM 16 C MET A 1 -5.187 -1.712 -1.363 1.00 0.00 ATOM 17 O MET A 1 -6.290 -1.453 -0.926 1.00 0.00 ATOM 18 N ASP A 2 -4.172 -0.894 -1.222 1.00 0.00 ATOM 19 H ASP A 2 -3.301 -1.140 -1.598 1.00 0.00 ATOM 20 CA ASP A 2 -4.319 0.411 -0.512 1.00 0.00 ATOM 21 HA ASP A 2 -3.445 1.032 -0.685 1.00 0.00 ATOM 22 CB ASP A 2 -5.555 1.065 -1.129 1.00 0.00 ATOM 23 1HB ASP A 2 -6.421 0.836 -0.528 1.00 0.00 ATOM 24 2HB ASP A 2 -5.700 0.687 -2.130 1.00 0.00 ATOM 25 CG ASP A 2 -5.360 2.581 -1.179 1.00 0.00 ATOM 26 OD1 ASP A 2 -4.244 3.023 -0.958 1.00 0.00 ATOM 27 OD2 ASP A 2 -6.329 3.276 -1.438 1.00 0.00 ATOM 28 C ASP A 2 -4.512 0.200 0.990 1.00 0.00 ATOM 29 O ASP A 2 -5.611 0.004 1.469 1.00 0.00 ATOM 30 N CYS A 3 -3.445 0.267 1.736 1.00 0.00 ATOM 31 H CYS A 3 -2.575 0.444 1.323 1.00 0.00 ATOM 32 CA CYS A 3 -3.542 0.101 3.211 1.00 0.00 ATOM 33 HA CYS A 3 -4.252 -0.659 3.481 1.00 0.00 ATOM 34 CB CYS A 3 -2.136 -0.310 3.654 1.00 0.00 ATOM 35 1HB CYS A 3 -1.799 -1.141 3.052 1.00 0.00 ATOM 36 2HB CYS A 3 -2.157 -0.602 4.693 1.00 0.00 ATOM 37 SG CYS A 3 -1.004 1.086 3.443 1.00 0.00 ATOM 38 HG CYS A 3 -0.384 1.078 4.175 1.00 0.00 ATOM 39 C CYS A 3 -3.940 1.427 3.838 1.00 0.00 ATOM 40 O CYS A 3 -4.752 2.161 3.310 1.00 0.00 ATOM 41 N SER A 4 -3.383 1.736 4.962 1.00 0.00 ATOM 42 H SER A 4 -2.736 1.127 5.372 1.00 0.00 ATOM 43 CA SER A 4 -3.730 3.007 5.632 1.00 0.00 ATOM 44 HA SER A 4 -4.741 3.298 5.398 1.00 0.00 ATOM 45 CB SER A 4 -3.611 2.664 7.107 1.00 0.00 ATOM 46 1HB SER A 4 -2.756 2.015 7.248 1.00 0.00 ATOM 47 2HB SER A 4 -4.503 2.148 7.422 1.00 0.00 ATOM 48 OG SER A 4 -3.456 3.857 7.864 1.00 0.00 ATOM 49 HG SER A 4 -4.265 4.368 7.782 1.00 0.00 ATOM 50 C SER A 4 -2.740 4.100 5.219 1.00 0.00 ATOM 51 O SER A 4 -2.241 4.847 6.037 1.00 0.00 ATOM 52 N GLY A 5 -2.460 4.196 3.945 1.00 0.00 ATOM 53 H GLY A 5 -2.879 3.581 3.306 1.00 0.00 ATOM 54 CA GLY A 5 -1.508 5.234 3.458 1.00 0.00 ATOM 55 1HA GLY A 5 -1.069 5.744 4.303 1.00 0.00 ATOM 56 2HA GLY A 5 -2.037 5.947 2.842 1.00 0.00 ATOM 57 C GLY A 5 -0.398 4.571 2.636 1.00 0.00 ATOM 58 O GLY A 5 0.725 5.030 2.622 1.00 0.00 ATOM 59 N CYS A 6 -0.707 3.492 1.960 1.00 0.00 ATOM 60 H CYS A 6 -1.618 3.140 1.996 1.00 0.00 ATOM 61 CA CYS A 6 0.324 2.784 1.143 1.00 0.00 ATOM 62 HA CYS A 6 -0.128 1.916 0.670 1.00 0.00 ATOM 63 CB CYS A 6 0.757 3.796 0.061 1.00 0.00 ATOM 64 1HB CYS A 6 -0.009 4.550 -0.040 1.00 0.00 ATOM 65 2HB CYS A 6 0.866 3.278 -0.880 1.00 0.00 ATOM 66 SG CYS A 6 2.336 4.598 0.475 1.00 0.00 ATOM 67 HG CYS A 6 2.363 4.724 1.427 1.00 0.00 ATOM 68 C CYS A 6 1.488 2.347 2.050 1.00 0.00 ATOM 69 O CYS A 6 2.025 3.131 2.808 1.00 0.00 ATOM 70 N SER A 7 1.865 1.101 1.994 1.00 0.00 ATOM 71 H SER A 7 1.413 0.471 1.389 1.00 0.00 ATOM 72 CA SER A 7 2.959 0.593 2.855 1.00 0.00 ATOM 73 HA SER A 7 3.912 1.019 2.585 1.00 0.00 ATOM 74 CB SER A 7 2.557 0.971 4.273 1.00 0.00 ATOM 75 1HB SER A 7 2.273 0.076 4.807 1.00 0.00 ATOM 76 2HB SER A 7 1.718 1.645 4.240 1.00 0.00 ATOM 77 OG SER A 7 3.650 1.605 4.923 1.00 0.00 ATOM 78 HG SER A 7 4.450 1.127 4.693 1.00 0.00 ATOM 79 C SER A 7 2.941 -0.906 2.680 1.00 0.00 ATOM 80 O SER A 7 2.736 -1.661 3.610 1.00 0.00 ATOM 81 N ARG A 8 3.061 -1.321 1.461 1.00 0.00 ATOM 82 H ARG A 8 3.154 -0.668 0.736 1.00 0.00 ATOM 83 CA ARG A 8 2.960 -2.753 1.138 1.00 0.00 ATOM 84 HA ARG A 8 3.138 -2.879 0.094 1.00 0.00 ATOM 85 CB ARG A 8 4.013 -3.483 1.978 1.00 0.00 ATOM 86 1HB ARG A 8 3.908 -4.548 1.837 1.00 0.00 ATOM 87 2HB ARG A 8 3.880 -3.245 3.021 1.00 0.00 ATOM 88 CG ARG A 8 5.412 -3.053 1.530 1.00 0.00 ATOM 89 1HG ARG A 8 5.425 -2.934 0.456 1.00 0.00 ATOM 90 2HG ARG A 8 6.130 -3.807 1.818 1.00 0.00 ATOM 91 CD ARG A 8 5.775 -1.722 2.191 1.00 0.00 ATOM 92 1HD ARG A 8 6.819 -1.708 2.460 1.00 0.00 ATOM 93 2HD ARG A 8 5.157 -1.556 3.063 1.00 0.00 ATOM 94 NE ARG A 8 5.502 -0.691 1.152 1.00 0.00 ATOM 95 HE ARG A 8 4.820 -0.005 1.310 1.00 0.00 ATOM 96 CZ ARG A 8 6.172 -0.699 0.032 1.00 0.00 ATOM 97 NH1 ARG A 8 5.539 -0.628 -1.107 1.00 0.00 ATOM 98 1HH1 ARG A 8 4.541 -0.565 -1.121 1.00 0.00 ATOM 99 2HH1 ARG A 8 6.051 -0.635 -1.965 1.00 0.00 ATOM 100 NH2 ARG A 8 7.474 -0.781 0.050 1.00 0.00 ATOM 101 1HH2 ARG A 8 7.959 -0.837 0.923 1.00 0.00 ATOM 102 2HH2 ARG A 8 7.987 -0.789 -0.808 1.00 0.00 ATOM 103 C ARG A 8 1.538 -3.185 1.483 1.00 0.00 ATOM 104 O ARG A 8 1.304 -3.944 2.403 1.00 0.00 ATOM 105 N PRO A 9 0.637 -2.616 0.731 1.00 0.00 ATOM 106 CD PRO A 9 0.896 -1.702 -0.387 1.00 0.00 ATOM 107 CA PRO A 9 -0.816 -2.840 0.922 1.00 0.00 ATOM 108 HA PRO A 9 -1.116 -2.583 1.903 1.00 0.00 ATOM 109 CB PRO A 9 -1.467 -1.862 -0.063 1.00 0.00 ATOM 110 1HB PRO A 9 -1.730 -0.940 0.419 1.00 0.00 ATOM 111 2HB PRO A 9 -2.342 -2.307 -0.518 1.00 0.00 ATOM 112 CG PRO A 9 -0.427 -1.625 -1.090 1.00 0.00 ATOM 113 1HG PRO A 9 -0.554 -0.649 -1.520 1.00 0.00 ATOM 114 2HG PRO A 9 -0.489 -2.387 -1.850 1.00 0.00 ATOM 115 1HD PRO A 9 1.187 -0.733 -0.016 1.00 0.00 ATOM 116 2HD PRO A 9 1.652 -2.106 -1.046 1.00 0.00 ATOM 117 C PRO A 9 -1.281 -4.238 0.608 1.00 0.00 ATOM 118 O PRO A 9 -0.536 -5.166 0.363 1.00 0.00 ATOM 119 N GLY A 10 -2.558 -4.308 0.555 1.00 0.00 ATOM 120 H GLY A 10 -3.074 -3.481 0.693 1.00 0.00 ATOM 121 CA GLY A 10 -3.305 -5.514 0.197 1.00 0.00 ATOM 122 1HA GLY A 10 -3.682 -6.002 1.077 1.00 0.00 ATOM 123 2HA GLY A 10 -2.690 -6.171 -0.400 1.00 0.00 ATOM 124 C GLY A 10 -4.437 -4.906 -0.603 1.00 0.00 ATOM 125 O GLY A 10 -5.587 -5.292 -0.540 1.00 0.00 TER ENDMDL END Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -4.155 -3.234 0.130 2 HA MET 1 HA MET 1 -4.065 -2.145 -2.400 3 HB2 MET 1 2HB MET 1 -5.810 -3.897 -2.719 4 HB3 MET 1 1HB MET 1 -6.771 -3.114 -1.464 5 HG2 MET 1 2HG MET 1 -7.436 -2.490 -3.828 6 HG3 MET 1 1HG MET 1 -7.027 -1.119 -2.798 7 HE1 MET 1 3HE MET 1 -6.288 0.523 -3.600 8 HE2 MET 1 1HE MET 1 -6.298 0.498 -5.369 9 HE3 MET 1 2HE MET 1 -4.804 0.831 -4.497 10 H ASP 2 H ASP 2 -3.128 -0.633 -0.855 11 HA ASP 2 HA ASP 2 -3.191 1.352 0.412 12 HB2 ASP 2 2HB ASP 2 -5.511 1.223 -1.367 13 HB3 ASP 2 1HB ASP 2 -5.816 2.234 0.046 14 H CYS 3 H CYS 3 -3.189 -0.317 2.298 15 HA CYS 3 HA CYS 3 -5.732 -0.548 3.756 16 HB2 CYS 3 2HB CYS 3 -3.208 -1.874 3.593 17 HB3 CYS 3 1HB CYS 3 -3.472 -1.384 5.265 18 HG CYS 3 HG CYS 3 -5.927 -2.740 4.050 19 H SER 4 H SER 4 -3.523 1.806 3.412 20 HA SER 4 HA SER 4 -4.477 3.434 5.538 21 HB2 SER 4 2HB SER 4 -3.469 1.889 7.008 22 HB3 SER 4 1HB SER 4 -2.064 1.690 5.965 23 HG SER 4 HG SER 4 -2.776 4.098 7.304 24 H GLY 5 H GLY 5 -3.536 3.537 2.697 25 HA2 GLY 5 2HA GLY 5 -2.743 5.663 1.717 26 HA3 GLY 5 1HA GLY 5 -1.553 5.750 3.017 27 H CYS 6 H CYS 6 -0.194 3.542 3.080 28 HA CYS 6 HA CYS 6 0.334 2.031 0.762 29 HB2 CYS 6 2HB CYS 6 1.025 4.808 0.544 30 HB3 CYS 6 1HB CYS 6 2.519 3.870 0.543 31 HG CYS 6 HG CYS 6 0.833 2.422 -1.333 32 H SER 7 H SER 7 1.755 0.437 1.435 33 HA SER 7 HA SER 7 4.159 0.767 2.903 34 HB2 SER 7 2HB SER 7 1.914 1.344 4.420 35 HB3 SER 7 1HB SER 7 2.177 -0.359 4.776 36 HG SER 7 HG SER 7 3.362 1.473 5.988 37 H ARG 8 H ARG 8 3.247 -0.679 0.755 38 HA ARG 8 HA ARG 8 3.221 -2.807 -0.141 39 HB2 ARG 8 2HB ARG 8 4.312 -3.385 2.633 40 HB3 ARG 8 1HB ARG 8 4.216 -4.609 1.369 41 HG2 ARG 8 2HG ARG 8 6.292 -3.879 0.802 42 HG3 ARG 8 1HG ARG 8 5.428 -2.547 0.033 43 HD2 ARG 8 2HD ARG 8 5.867 -2.176 2.932 44 HD3 ARG 8 1HD ARG 8 7.350 -2.198 1.957 45 HE ARG 8 HE ARG 8 5.096 -0.289 1.618 46 HH11 ARG 8 1HH2 ARG 8 6.195 -1.017 -1.045 47 HH12 ARG 8 2HH2 ARG 8 7.481 0.125 -1.247 48 HH21 ARG 8 1HH1 ARG 8 7.614 0.971 2.112 49 HH22 ARG 8 2HH1 ARG 8 8.284 1.250 0.540 50 HA PRO 9 HA PRO 9 -0.765 -3.360 2.145 51 HB2 PRO 9 2HB PRO 9 -2.378 -2.257 0.260 52 HB3 PRO 9 1HB PRO 9 -1.618 -1.306 1.551 53 HG2 PRO 9 2HG PRO 9 -0.974 -1.488 -1.288 54 HG3 PRO 9 1HG PRO 9 -0.670 -0.182 -0.139 55 HD2 PRO 9 2HD PRO 9 1.198 -2.048 -1.114 56 HD3 PRO 9 1HD PRO 9 1.436 -0.896 0.213 57 H GLY 10 H GLY 10 -2.877 -3.876 1.006 58 HA2 GLY 10 2HA GLY 10 -2.461 -6.148 -0.833 59 HA3 GLY 10 1HA GLY 10 -3.872 -5.948 0.248 Start of MODEL 2 1 H1 MET 1 H MET 1 -4.183 -3.279 -0.019 2 HA MET 1 HA MET 1 -3.921 -2.219 -2.545 3 HB2 MET 1 2HB MET 1 -5.614 -4.028 -2.947 4 HB3 MET 1 1HB MET 1 -6.692 -3.192 -1.830 5 HG2 MET 1 2HG MET 1 -6.179 -1.124 -3.428 6 HG3 MET 1 1HG MET 1 -5.848 -2.406 -4.594 7 HE1 MET 1 3HE MET 1 -8.095 -2.154 -6.322 8 HE2 MET 1 1HE MET 1 -7.551 -0.679 -5.510 9 HE3 MET 1 2HE MET 1 -9.270 -1.061 -5.593 10 H ASP 2 H ASP 2 -3.144 -0.700 -0.894 11 HA ASP 2 HA ASP 2 -3.375 1.359 0.235 12 HB2 ASP 2 2HB ASP 2 -5.101 1.450 -1.768 13 HB3 ASP 2 1HB ASP 2 -6.298 1.313 -0.480 14 H CYS 3 H CYS 3 -3.128 -0.073 2.205 15 HA CYS 3 HA CYS 3 -5.665 -0.397 3.737 16 HB2 CYS 3 2HB CYS 3 -3.337 -1.979 3.262 17 HB3 CYS 3 1HB CYS 3 -3.423 -1.616 4.986 18 HG CYS 3 HG CYS 3 -5.063 -3.495 4.994 19 H SER 4 H SER 4 -3.250 1.741 3.417 20 HA SER 4 HA SER 4 -3.852 3.192 5.803 21 HB2 SER 4 2HB SER 4 -2.836 1.396 6.952 22 HB3 SER 4 1HB SER 4 -1.554 1.250 5.754 23 HG SER 4 HG SER 4 -0.461 2.662 6.860 24 H GLY 5 H GLY 5 -3.408 3.842 3.035 25 HA2 GLY 5 2HA GLY 5 -2.397 5.626 1.869 26 HA3 GLY 5 1HA GLY 5 -1.508 6.019 3.341 27 H CYS 6 H CYS 6 -1.570 3.052 1.357 28 HA CYS 6 HA CYS 6 0.188 1.904 0.291 29 HB2 CYS 6 2HB CYS 6 0.704 4.768 0.113 30 HB3 CYS 6 1HB CYS 6 2.207 3.847 0.127 31 HG CYS 6 HG CYS 6 1.496 2.628 -2.010 32 H SER 7 H SER 7 1.530 0.478 1.318 33 HA SER 7 HA SER 7 3.763 1.062 2.955 34 HB2 SER 7 2HB SER 7 1.353 1.689 4.190 35 HB3 SER 7 1HB SER 7 1.670 0.059 4.768 36 HG SER 7 HG SER 7 2.734 2.277 5.643 37 H ARG 8 H ARG 8 3.118 -0.630 0.909 38 HA ARG 8 HA ARG 8 3.219 -2.841 0.241 39 HB2 ARG 8 2HB ARG 8 4.223 -2.870 3.075 40 HB3 ARG 8 1HB ARG 8 3.950 -4.410 2.263 41 HG2 ARG 8 2HG ARG 8 6.102 -4.076 1.553 42 HG3 ARG 8 1HG ARG 8 5.297 -3.111 0.315 43 HD2 ARG 8 2HD ARG 8 6.041 -1.824 2.935 44 HD3 ARG 8 1HD ARG 8 7.266 -2.021 1.666 45 HE ARG 8 HE ARG 8 4.958 -0.235 1.539 46 HH11 ARG 8 1HH2 ARG 8 6.901 -2.382 -0.318 47 HH12 ARG 8 2HH2 ARG 8 6.891 -1.385 -1.734 48 HH21 ARG 8 1HH1 ARG 8 5.069 1.166 -0.250 49 HH22 ARG 8 2HH1 ARG 8 5.855 0.623 -1.695 50 HA PRO 9 HA PRO 9 -0.930 -3.339 2.224 51 HB2 PRO 9 2HB PRO 9 -2.423 -2.289 0.214 52 HB3 PRO 9 1HB PRO 9 -1.748 -1.303 1.525 53 HG2 PRO 9 2HG PRO 9 -0.972 -1.492 -1.263 54 HG3 PRO 9 1HG PRO 9 -0.647 -0.221 -0.084 55 HD2 PRO 9 2HD PRO 9 1.130 -2.250 -1.011 56 HD3 PRO 9 1HD PRO 9 1.439 -0.994 0.202 57 H GLY 10 H GLY 10 -2.963 -3.885 0.953 58 HA2 GLY 10 2HA GLY 10 -2.418 -6.200 -0.797 59 HA3 GLY 10 1HA GLY 10 -3.899 -5.982 0.180 Start of MODEL 3 1 H1 MET 1 H MET 1 -4.187 -3.282 -0.022 2 HA MET 1 HA MET 1 -3.930 -2.212 -2.545 3 HB2 MET 1 2HB MET 1 -5.625 -4.018 -2.950 4 HB3 MET 1 1HB MET 1 -6.698 -3.186 -1.825 5 HG2 MET 1 2HG MET 1 -7.254 -1.587 -3.346 6 HG3 MET 1 1HG MET 1 -5.600 -1.453 -3.943 7 HE1 MET 1 3HE MET 1 -8.081 -1.179 -5.682 8 HE2 MET 1 1HE MET 1 -9.074 -2.364 -4.822 9 HE3 MET 1 2HE MET 1 -8.691 -2.600 -6.526 10 H ASP 2 H ASP 2 -3.146 -0.691 -0.904 11 HA ASP 2 HA ASP 2 -3.376 1.363 0.234 12 HB2 ASP 2 2HB ASP 2 -5.427 1.161 -1.670 13 HB3 ASP 2 1HB ASP 2 -6.252 1.643 -0.187 14 H CYS 3 H CYS 3 -3.104 -0.077 2.197 15 HA CYS 3 HA CYS 3 -5.625 -0.436 3.744 16 HB2 CYS 3 2HB CYS 3 -3.199 -1.928 3.307 17 HB3 CYS 3 1HB CYS 3 -3.430 -1.635 5.031 18 HG CYS 3 HG CYS 3 -4.979 -3.637 3.459 19 H SER 4 H SER 4 -3.235 1.739 3.417 20 HA SER 4 HA SER 4 -3.867 3.197 5.788 21 HB2 SER 4 2HB SER 4 -2.846 1.423 6.963 22 HB3 SER 4 1HB SER 4 -1.556 1.272 5.775 23 HG SER 4 HG SER 4 -0.588 3.039 6.584 24 H GLY 5 H GLY 5 -3.407 3.838 3.025 25 HA2 GLY 5 2HA GLY 5 -2.399 5.625 1.860 26 HA3 GLY 5 1HA GLY 5 -1.514 6.023 3.334 27 H CYS 6 H CYS 6 -1.572 3.061 1.342 28 HA CYS 6 HA CYS 6 0.186 1.906 0.287 29 HB2 CYS 6 2HB CYS 6 1.638 4.560 0.514 30 HB3 CYS 6 1HB CYS 6 1.877 3.309 -0.704 31 HG CYS 6 HG CYS 6 -0.547 5.256 -0.599 32 H SER 7 H SER 7 1.514 0.474 1.326 33 HA SER 7 HA SER 7 3.749 1.063 2.968 34 HB2 SER 7 2HB SER 7 1.351 1.709 4.196 35 HB3 SER 7 1HB SER 7 1.627 0.066 4.760 36 HG SER 7 HG SER 7 2.978 0.954 6.100 37 H ARG 8 H ARG 8 3.111 -0.628 0.920 38 HA ARG 8 HA ARG 8 3.218 -2.840 0.252 39 HB2 ARG 8 2HB ARG 8 4.222 -2.858 3.084 40 HB3 ARG 8 1HB ARG 8 3.937 -4.405 2.287 41 HG2 ARG 8 2HG ARG 8 6.102 -4.077 1.595 42 HG3 ARG 8 1HG ARG 8 5.291 -3.165 0.321 43 HD2 ARG 8 2HD ARG 8 6.115 -1.838 2.914 44 HD3 ARG 8 1HD ARG 8 7.226 -1.961 1.534 45 HE ARG 8 HE ARG 8 4.936 -0.202 1.673 46 HH11 ARG 8 1HH1 ARG 8 7.066 -2.011 -0.331 47 HH12 ARG 8 2HH1 ARG 8 6.513 -1.289 -1.804 48 HH21 ARG 8 1HH2 ARG 8 4.072 0.630 -0.261 49 HH22 ARG 8 2HH2 ARG 8 4.819 0.206 -1.765 50 HA PRO 9 HA PRO 9 -0.936 -3.345 2.222 51 HB2 PRO 9 2HB PRO 9 -2.425 -2.292 0.211 52 HB3 PRO 9 1HB PRO 9 -1.755 -1.310 1.527 53 HG2 PRO 9 2HG PRO 9 -0.973 -1.489 -1.261 54 HG3 PRO 9 1HG PRO 9 -0.649 -0.221 -0.076 55 HD2 PRO 9 2HD PRO 9 1.126 -2.251 -1.008 56 HD3 PRO 9 1HD PRO 9 1.436 -0.996 0.206 57 H GLY 10 H GLY 10 -2.966 -3.890 0.946 58 HA2 GLY 10 2HA GLY 10 -2.417 -6.198 -0.813 59 HA3 GLY 10 1HA GLY 10 -3.899 -5.986 0.165 Start of MODEL 4 1 H1 MET 1 H MET 1 -4.168 -3.278 0.003 2 HA MET 1 HA MET 1 -3.911 -2.219 -2.520 3 HB2 MET 1 2HB MET 1 -5.605 -4.038 -2.910 4 HB3 MET 1 1HB MET 1 -6.687 -3.179 -1.816 5 HG2 MET 1 2HG MET 1 -6.827 -1.290 -3.285 6 HG3 MET 1 1HG MET 1 -5.490 -1.878 -4.273 7 HE1 MET 1 3HE MET 1 -6.465 -1.616 -6.307 8 HE2 MET 1 1HE MET 1 -7.502 -2.807 -7.106 9 HE3 MET 1 2HE MET 1 -5.917 -3.279 -6.500 10 H ASP 2 H ASP 2 -3.144 -0.657 -0.936 11 HA ASP 2 HA ASP 2 -3.379 1.382 0.224 12 HB2 ASP 2 2HB ASP 2 -5.697 1.017 -1.524 13 HB3 ASP 2 1HB ASP 2 -6.084 2.010 -0.117 14 H CYS 3 H CYS 3 -3.154 -0.072 2.189 15 HA CYS 3 HA CYS 3 -5.704 -0.373 3.704 16 HB2 CYS 3 2HB CYS 3 -3.374 -1.968 3.246 17 HB3 CYS 3 1HB CYS 3 -3.502 -1.629 4.971 18 HG CYS 3 HG CYS 3 -6.148 -2.560 3.740 19 H SER 4 H SER 4 -3.265 1.742 3.409 20 HA SER 4 HA SER 4 -3.861 3.177 5.808 21 HB2 SER 4 2HB SER 4 -2.859 1.360 6.937 22 HB3 SER 4 1HB SER 4 -1.574 1.223 5.741 23 HG SER 4 HG SER 4 -1.895 3.029 7.857 24 H GLY 5 H GLY 5 -3.402 3.839 3.040 25 HA2 GLY 5 2HA GLY 5 -2.384 5.635 1.896 26 HA3 GLY 5 1HA GLY 5 -1.495 6.007 3.373 27 H CYS 6 H CYS 6 -1.567 3.057 1.364 28 HA CYS 6 HA CYS 6 0.186 1.909 0.292 29 HB2 CYS 6 2HB CYS 6 0.740 4.783 0.154 30 HB3 CYS 6 1HB CYS 6 2.213 3.815 0.089 31 HG CYS 6 HG CYS 6 1.483 3.749 -2.335 32 H SER 7 H SER 7 1.528 0.475 1.312 33 HA SER 7 HA SER 7 3.771 1.059 2.942 34 HB2 SER 7 2HB SER 7 1.371 1.686 4.189 35 HB3 SER 7 1HB SER 7 1.674 0.048 4.752 36 HG SER 7 HG SER 7 3.030 0.951 6.074 37 H ARG 8 H ARG 8 3.125 -0.626 0.892 38 HA ARG 8 HA ARG 8 3.217 -2.834 0.214 39 HB2 ARG 8 2HB ARG 8 4.148 -2.998 3.091 40 HB3 ARG 8 1HB ARG 8 4.065 -4.436 2.073 41 HG2 ARG 8 2HG ARG 8 6.188 -3.848 1.492 42 HG3 ARG 8 1HG ARG 8 5.373 -2.715 0.412 43 HD2 ARG 8 2HD ARG 8 5.683 -1.723 3.178 44 HD3 ARG 8 1HD ARG 8 7.209 -1.955 2.301 45 HE ARG 8 HE ARG 8 4.957 -0.228 1.372 46 HH11 ARG 8 1HH1 ARG 8 8.242 -0.423 1.966 47 HH12 ARG 8 2HH1 ARG 8 8.739 0.339 0.493 48 HH21 ARG 8 1HH2 ARG 8 5.561 0.335 -0.893 49 HH22 ARG 8 2HH2 ARG 8 7.222 0.768 -1.125 50 HA PRO 9 HA PRO 9 -0.909 -3.351 2.236 51 HB2 PRO 9 2HB PRO 9 -2.422 -2.297 0.245 52 HB3 PRO 9 1HB PRO 9 -1.739 -1.315 1.552 53 HG2 PRO 9 2HG PRO 9 -0.990 -1.491 -1.243 54 HG3 PRO 9 1HG PRO 9 -0.655 -0.223 -0.061 55 HD2 PRO 9 2HD PRO 9 1.114 -2.249 -1.018 56 HD3 PRO 9 1HD PRO 9 1.436 -0.996 0.195 57 H GLY 10 H GLY 10 -2.955 -3.897 0.978 58 HA2 GLY 10 2HA GLY 10 -2.417 -6.208 -0.778 59 HA3 GLY 10 1HA GLY 10 -3.896 -5.988 0.202 Start of MODEL 5 1 H1 MET 1 H MET 1 -4.247 -3.505 0.108 2 HA MET 1 HA MET 1 -4.213 -2.857 -2.579 3 HB2 MET 1 2HB MET 1 -5.912 -4.690 -2.539 4 HB3 MET 1 1HB MET 1 -6.879 -3.708 -1.439 5 HG2 MET 1 2HG MET 1 -7.597 -3.532 -3.852 6 HG3 MET 1 1HG MET 1 -7.168 -1.987 -3.119 7 HE1 MET 1 3HE MET 1 -5.376 -0.660 -5.978 8 HE2 MET 1 1HE MET 1 -5.710 -0.345 -4.269 9 HE3 MET 1 2HE MET 1 -6.998 -0.904 -5.333 10 H ASP 2 H ASP 2 -3.298 -1.080 -1.321 11 HA ASP 2 HA ASP 2 -3.462 1.174 -0.636 12 HB2 ASP 2 2HB ASP 2 -5.478 0.917 -2.268 13 HB3 ASP 2 1HB ASP 2 -6.462 0.841 -0.805 14 H CYS 3 H CYS 3 -2.762 0.138 1.444 15 HA CYS 3 HA CYS 3 -4.622 -0.497 3.560 16 HB2 CYS 3 2HB CYS 3 -1.975 -0.822 3.083 17 HB3 CYS 3 1HB CYS 3 -1.916 0.590 4.139 18 HG CYS 3 HG CYS 3 -2.460 -0.868 6.061 19 H SER 4 H SER 4 -3.071 1.323 5.418 20 HA SER 4 HA SER 4 -4.927 3.620 5.168 21 HB2 SER 4 2HB SER 4 -5.010 2.592 7.259 22 HB3 SER 4 1HB SER 4 -3.280 2.261 7.271 23 HG SER 4 HG SER 4 -4.568 4.327 8.325 24 H GLY 5 H GLY 5 -2.870 3.713 3.264 25 HA2 GLY 5 2HA GLY 5 -1.828 6.062 2.949 26 HA3 GLY 5 1HA GLY 5 -0.921 5.668 4.407 27 H CYS 6 H CYS 6 -1.580 3.109 2.112 28 HA CYS 6 HA CYS 6 -0.135 1.892 0.707 29 HB2 CYS 6 2HB CYS 6 1.433 4.493 0.656 30 HB3 CYS 6 1HB CYS 6 1.371 3.256 -0.599 31 HG CYS 6 HG CYS 6 -0.408 4.795 -1.477 32 H SER 7 H SER 7 1.426 0.424 1.362 33 HA SER 7 HA SER 7 3.924 0.981 2.587 34 HB2 SER 7 2HB SER 7 2.568 1.821 4.439 35 HB3 SER 7 1HB SER 7 1.561 0.378 4.399 36 HG SER 7 HG SER 7 3.250 -0.813 5.165 37 H ARG 8 H ARG 8 3.082 -0.619 0.605 38 HA ARG 8 HA ARG 8 3.143 -2.785 -0.183 39 HB2 ARG 8 2HB ARG 8 4.188 -3.267 2.632 40 HB3 ARG 8 1HB ARG 8 4.221 -4.477 1.352 41 HG2 ARG 8 2HG ARG 8 6.341 -3.559 1.123 42 HG3 ARG 8 1HG ARG 8 5.427 -2.555 -0.004 43 HD2 ARG 8 2HD ARG 8 5.309 -1.523 2.736 44 HD3 ARG 8 1HD ARG 8 6.965 -1.592 2.100 45 HE ARG 8 HE ARG 8 4.785 0.060 1.029 46 HH11 ARG 8 1HH2 ARG 8 7.431 -1.858 0.029 47 HH12 ARG 8 2HH2 ARG 8 8.059 -0.679 -1.074 48 HH21 ARG 8 1HH1 ARG 8 5.749 1.755 -0.201 49 HH22 ARG 8 2HH1 ARG 8 7.107 1.367 -1.203 50 HA PRO 9 HA PRO 9 -0.872 -3.159 2.094 51 HB2 PRO 9 2HB PRO 9 -2.446 -2.465 -0.005 52 HB3 PRO 9 1HB PRO 9 -1.760 -1.284 1.124 53 HG2 PRO 9 2HG PRO 9 -0.927 -2.007 -1.598 54 HG3 PRO 9 1HG PRO 9 -0.857 -0.448 -0.768 55 HD2 PRO 9 2HD PRO 9 1.296 -2.121 -1.179 56 HD3 PRO 9 1HD PRO 9 1.210 -0.857 0.064 57 H GLY 10 H GLY 10 -2.918 -3.915 1.036 58 HA2 GLY 10 2HA GLY 10 -2.428 -6.463 -0.382 59 HA3 GLY 10 1HA GLY 10 -3.838 -6.136 0.668 Start of MODEL 6 1 H1 MET 1 H MET 1 -4.239 -3.538 0.160 2 HA MET 1 HA MET 1 -4.280 -3.023 -2.564 3 HB2 MET 1 2HB MET 1 -6.033 -4.854 -2.204 4 HB3 MET 1 1HB MET 1 -6.967 -3.633 -1.340 5 HG2 MET 1 2HG MET 1 -7.197 -2.280 -3.294 6 HG3 MET 1 1HG MET 1 -5.960 -3.192 -4.158 7 HE1 MET 1 3HE MET 1 -8.728 -2.264 -4.974 8 HE2 MET 1 1HE MET 1 -9.801 -2.807 -3.676 9 HE3 MET 1 2HE MET 1 -9.927 -3.517 -5.283 10 H ASP 2 H ASP 2 -3.256 -1.277 -1.241 11 HA ASP 2 HA ASP 2 -3.314 0.994 -0.604 12 HB2 ASP 2 2HB ASP 2 -5.154 0.855 -2.417 13 HB3 ASP 2 1HB ASP 2 -6.298 0.831 -1.075 14 H CYS 3 H CYS 3 -2.857 0.135 1.587 15 HA CYS 3 HA CYS 3 -4.986 -0.325 3.513 16 HB2 CYS 3 2HB CYS 3 -2.046 0.379 3.799 17 HB3 CYS 3 1HB CYS 3 -3.069 -0.269 5.082 18 HG CYS 3 HG CYS 3 -3.069 -2.538 3.981 19 H SER 4 H SER 4 -3.489 1.489 5.449 20 HA SER 4 HA SER 4 -5.088 3.915 4.822 21 HB2 SER 4 2HB SER 4 -5.654 3.043 6.901 22 HB3 SER 4 1HB SER 4 -4.014 2.493 7.227 23 HG SER 4 HG SER 4 -4.564 5.241 6.948 24 H GLY 5 H GLY 5 -2.794 3.825 3.280 25 HA2 GLY 5 2HA GLY 5 -1.512 6.157 3.375 26 HA3 GLY 5 1HA GLY 5 -0.720 5.374 4.738 27 H CYS 6 H CYS 6 -1.423 2.962 2.515 28 HA CYS 6 HA CYS 6 -0.117 1.845 0.892 29 HB2 CYS 6 2HB CYS 6 0.251 4.665 0.547 30 HB3 CYS 6 1HB CYS 6 1.819 3.887 0.330 31 HG CYS 6 HG CYS 6 0.091 2.214 -1.268 32 H SER 7 H SER 7 1.519 0.401 1.365 33 HA SER 7 HA SER 7 4.098 0.956 2.400 34 HB2 SER 7 2HB SER 7 2.096 1.414 4.266 35 HB3 SER 7 1HB SER 7 2.556 -0.248 4.607 36 HG SER 7 HG SER 7 3.826 1.311 5.750 37 H ARG 8 H ARG 8 3.067 -0.591 0.459 38 HA ARG 8 HA ARG 8 3.108 -2.733 -0.401 39 HB2 ARG 8 2HB ARG 8 4.248 -3.390 2.344 40 HB3 ARG 8 1HB ARG 8 4.280 -4.472 0.955 41 HG2 ARG 8 2HG ARG 8 6.345 -3.524 0.658 42 HG3 ARG 8 1HG ARG 8 5.393 -2.298 -0.178 43 HD2 ARG 8 2HD ARG 8 5.419 -1.765 2.674 44 HD3 ARG 8 1HD ARG 8 7.072 -1.871 2.038 45 HE ARG 8 HE ARG 8 4.976 0.002 1.051 46 HH11 ARG 8 1HH2 ARG 8 7.191 -1.302 -0.797 47 HH12 ARG 8 2HH2 ARG 8 8.287 0.035 -0.893 48 HH21 ARG 8 1HH1 ARG 8 6.818 1.771 1.725 49 HH22 ARG 8 2HH1 ARG 8 8.076 1.774 0.535 50 HA PRO 9 HA PRO 9 -0.822 -3.067 2.041 51 HB2 PRO 9 2HB PRO 9 -2.453 -2.477 -0.053 52 HB3 PRO 9 1HB PRO 9 -1.762 -1.236 1.012 53 HG2 PRO 9 2HG PRO 9 -0.921 -2.116 -1.677 54 HG3 PRO 9 1HG PRO 9 -0.934 -0.494 -0.970 55 HD2 PRO 9 2HD PRO 9 1.319 -1.994 -1.257 56 HD3 PRO 9 1HD PRO 9 1.110 -0.765 0.007 57 H GLY 10 H GLY 10 -2.884 -3.893 1.074 58 HA2 GLY 10 2HA GLY 10 -2.397 -6.492 -0.249 59 HA3 GLY 10 1HA GLY 10 -3.789 -6.135 0.817 Start of MODEL 7 1 H1 MET 1 H MET 1 -3.025 -3.330 -1.364 2 HA MET 1 HA MET 1 -4.254 -2.253 -2.981 3 HB2 MET 1 2HB MET 1 -5.761 -4.324 -3.072 4 HB3 MET 1 1HB MET 1 -6.719 -3.562 -1.803 5 HG2 MET 1 2HG MET 1 -7.691 -3.075 -4.006 6 HG3 MET 1 1HG MET 1 -7.075 -1.596 -3.271 7 HE1 MET 1 3HE MET 1 -6.231 -0.418 -6.528 8 HE2 MET 1 1HE MET 1 -5.477 0.091 -5.011 9 HE3 MET 1 2HE MET 1 -7.173 -0.386 -5.038 10 H ASP 2 H ASP 2 -3.287 -0.822 -1.295 11 HA ASP 2 HA ASP 2 -3.460 1.089 0.066 12 HB2 ASP 2 2HB ASP 2 -5.101 1.541 -1.820 13 HB3 ASP 2 1HB ASP 2 -6.379 0.938 -0.762 14 H CYS 3 H CYS 3 -3.146 0.250 2.149 15 HA CYS 3 HA CYS 3 -5.619 -0.435 3.673 16 HB2 CYS 3 2HB CYS 3 -3.328 -2.020 3.025 17 HB3 CYS 3 1HB CYS 3 -3.359 -1.757 4.768 18 HG CYS 3 HG CYS 3 -4.927 -3.844 3.764 19 H SER 4 H SER 4 -3.160 1.665 3.358 20 HA SER 4 HA SER 4 -3.642 3.041 5.804 21 HB2 SER 4 2HB SER 4 -2.673 1.177 6.880 22 HB3 SER 4 1HB SER 4 -1.432 1.008 5.644 23 HG SER 4 HG SER 4 -0.585 3.029 6.382 24 H GLY 5 H GLY 5 -3.401 4.077 3.291 25 HA2 GLY 5 2HA GLY 5 -2.282 5.752 2.085 26 HA3 GLY 5 1HA GLY 5 -1.320 6.024 3.539 27 H CYS 6 H CYS 6 -1.558 3.043 1.623 28 HA CYS 6 HA CYS 6 0.094 1.830 0.472 29 HB2 CYS 6 2HB CYS 6 1.517 4.511 0.381 30 HB3 CYS 6 1HB CYS 6 1.665 3.183 -0.770 31 HG CYS 6 HG CYS 6 -0.218 4.217 -1.990 32 H SER 7 H SER 7 1.569 0.485 1.444 33 HA SER 7 HA SER 7 3.953 1.146 2.788 34 HB2 SER 7 2HB SER 7 1.634 1.855 4.226 35 HB3 SER 7 1HB SER 7 2.150 0.331 4.935 36 HG SER 7 HG SER 7 3.694 1.396 5.868 37 H ARG 8 H ARG 8 3.106 -0.658 0.971 38 HA ARG 8 HA ARG 8 3.267 -2.924 0.488 39 HB2 ARG 8 2HB ARG 8 3.476 -3.415 3.472 40 HB3 ARG 8 1HB ARG 8 4.138 -4.399 2.170 41 HG2 ARG 8 2HG ARG 8 5.108 -1.710 3.149 42 HG3 ARG 8 1HG ARG 8 6.007 -3.219 3.030 43 HD2 ARG 8 2HD ARG 8 6.763 -2.431 1.033 44 HD3 ARG 8 1HD ARG 8 5.134 -2.769 0.415 45 HE ARG 8 HE ARG 8 5.004 -0.287 1.771 46 HH11 ARG 8 1HH2 ARG 8 7.154 -1.480 -0.596 47 HH12 ARG 8 2HH2 ARG 8 6.974 -0.123 -1.658 48 HH21 ARG 8 1HH1 ARG 8 4.496 1.377 0.248 49 HH22 ARG 8 2HH1 ARG 8 5.470 1.494 -1.180 50 HA PRO 9 HA PRO 9 -1.121 -2.563 1.946 51 HB2 PRO 9 2HB PRO 9 -2.197 -2.114 -0.509 52 HB3 PRO 9 1HB PRO 9 -1.597 -0.819 0.533 53 HG2 PRO 9 2HG PRO 9 -0.331 -2.125 -1.791 54 HG3 PRO 9 1HG PRO 9 -0.286 -0.433 -1.279 55 HD2 PRO 9 2HD PRO 9 1.762 -2.198 -0.896 56 HD3 PRO 9 1HD PRO 9 1.471 -0.774 0.122 57 H GLY 10 H GLY 10 -3.018 -3.336 0.587 58 HA2 GLY 10 2HA GLY 10 -2.658 -5.932 -0.708 59 HA3 GLY 10 1HA GLY 10 -3.660 -5.887 0.771 Start of MODEL 8 1 H1 MET 1 H MET 1 -3.041 -3.173 -1.225 2 HA MET 1 HA MET 1 -4.317 -2.045 -2.769 3 HB2 MET 1 2HB MET 1 -5.905 -4.042 -2.811 4 HB3 MET 1 1HB MET 1 -6.750 -3.287 -1.459 5 HG2 MET 1 2HG MET 1 -7.811 -2.742 -3.641 6 HG3 MET 1 1HG MET 1 -7.212 -1.302 -2.818 7 HE1 MET 1 3HE MET 1 -7.943 -1.051 -5.686 8 HE2 MET 1 1HE MET 1 -6.543 -0.257 -6.420 9 HE3 MET 1 2HE MET 1 -7.098 0.230 -4.821 10 H ASP 2 H ASP 2 -3.207 -0.656 -1.151 11 HA ASP 2 HA ASP 2 -3.200 1.179 0.327 12 HB2 ASP 2 2HB ASP 2 -5.587 1.220 -1.405 13 HB3 ASP 2 1HB ASP 2 -5.745 2.218 0.041 14 H CYS 3 H CYS 3 -3.136 -0.235 2.256 15 HA CYS 3 HA CYS 3 -5.727 -0.663 3.634 16 HB2 CYS 3 2HB CYS 3 -3.205 -1.990 3.423 17 HB3 CYS 3 1HB CYS 3 -3.475 -1.572 5.114 18 HG CYS 3 HG CYS 3 -5.698 -3.098 3.536 19 H SER 4 H SER 4 -3.514 1.693 3.389 20 HA SER 4 HA SER 4 -4.462 3.249 5.566 21 HB2 SER 4 2HB SER 4 -3.470 1.643 6.985 22 HB3 SER 4 1HB SER 4 -2.059 1.478 5.945 23 HG SER 4 HG SER 4 -2.721 3.475 7.801 24 H GLY 5 H GLY 5 -3.534 3.453 2.741 25 HA2 GLY 5 2HA GLY 5 -2.713 5.602 1.834 26 HA3 GLY 5 1HA GLY 5 -1.507 5.616 3.124 27 H CYS 6 H CYS 6 -0.113 3.485 3.096 28 HA CYS 6 HA CYS 6 0.345 1.941 0.795 29 HB2 CYS 6 2HB CYS 6 0.966 4.740 0.480 30 HB3 CYS 6 1HB CYS 6 2.460 3.810 0.367 31 HG CYS 6 HG CYS 6 1.095 2.291 -1.453 32 H SER 7 H SER 7 1.861 0.410 1.442 33 HA SER 7 HA SER 7 4.344 0.786 2.703 34 HB2 SER 7 2HB SER 7 2.117 1.408 4.355 35 HB3 SER 7 1HB SER 7 2.694 -0.165 4.888 36 HG SER 7 HG SER 7 3.945 1.244 5.976 37 H ARG 8 H ARG 8 3.450 -0.787 0.774 38 HA ARG 8 HA ARG 8 3.326 -2.974 0.046 39 HB2 ARG 8 2HB ARG 8 4.040 -3.522 2.955 40 HB3 ARG 8 1HB ARG 8 4.044 -4.744 1.687 41 HG2 ARG 8 2HG ARG 8 6.270 -4.116 1.638 42 HG3 ARG 8 1HG ARG 8 5.606 -2.983 0.460 43 HD2 ARG 8 2HD ARG 8 5.384 -1.975 3.203 44 HD3 ARG 8 1HD ARG 8 7.066 -2.266 2.712 45 HE ARG 8 HE ARG 8 5.235 -0.322 1.487 46 HH11 ARG 8 1HH2 ARG 8 8.387 -0.662 2.081 47 HH12 ARG 8 2HH2 ARG 8 8.968 -0.390 0.473 48 HH21 ARG 8 1HH1 ARG 8 5.834 -0.658 -0.987 49 HH22 ARG 8 2HH1 ARG 8 7.522 -0.387 -1.265 50 HA PRO 9 HA PRO 9 -0.876 -2.558 1.944 51 HB2 PRO 9 2HB PRO 9 -2.139 -1.990 -0.400 52 HB3 PRO 9 1HB PRO 9 -1.412 -0.752 0.631 53 HG2 PRO 9 2HG PRO 9 -0.360 -2.041 -1.815 54 HG3 PRO 9 1HG PRO 9 -0.255 -0.354 -1.289 55 HD2 PRO 9 2HD PRO 9 1.807 -2.098 -1.082 56 HD3 PRO 9 1HD PRO 9 1.564 -0.744 0.041 57 H GLY 10 H GLY 10 -2.913 -3.225 0.721 58 HA2 GLY 10 2HA GLY 10 -2.732 -5.809 -0.640 59 HA3 GLY 10 1HA GLY 10 -3.643 -5.744 0.896 Start of MODEL 9 1 H1 MET 1 H MET 1 -3.116 -3.636 -1.258 2 HA MET 1 HA MET 1 -4.386 -2.787 -2.991 3 HB2 MET 1 2HB MET 1 -5.956 -4.787 -2.772 4 HB3 MET 1 1HB MET 1 -6.815 -3.863 -1.539 5 HG2 MET 1 2HG MET 1 -8.041 -3.067 -3.276 6 HG3 MET 1 1HG MET 1 -6.643 -2.037 -3.583 7 HE1 MET 1 3HE MET 1 -5.881 -2.324 -6.717 8 HE2 MET 1 1HE MET 1 -6.918 -1.532 -5.522 9 HE3 MET 1 2HE MET 1 -7.633 -2.478 -6.825 10 H ASP 2 H ASP 2 -3.311 -1.155 -1.623 11 HA ASP 2 HA ASP 2 -3.415 1.008 -0.692 12 HB2 ASP 2 2HB ASP 2 -5.962 0.423 -1.885 13 HB3 ASP 2 1HB ASP 2 -6.245 1.301 -0.380 14 H CYS 3 H CYS 3 -2.574 0.437 1.323 15 HA CYS 3 HA CYS 3 -4.273 -0.654 3.470 16 HB2 CYS 3 2HB CYS 3 -1.679 -0.882 2.871 17 HB3 CYS 3 1HB CYS 3 -1.571 0.562 3.877 18 HG CYS 3 HG CYS 3 -1.525 -1.928 5.168 19 H SER 4 H SER 4 -2.759 1.125 5.370 20 HA SER 4 HA SER 4 -4.746 3.313 5.372 21 HB2 SER 4 2HB SER 4 -4.553 2.176 7.403 22 HB3 SER 4 1HB SER 4 -2.808 1.999 7.245 23 HG SER 4 HG SER 4 -2.598 3.827 8.257 24 H GLY 5 H GLY 5 -2.896 3.612 3.298 25 HA2 GLY 5 2HA GLY 5 -2.016 5.969 2.867 26 HA3 GLY 5 1HA GLY 5 -1.045 5.728 4.320 27 H CYS 6 H CYS 6 -1.598 3.093 2.062 28 HA CYS 6 HA CYS 6 -0.104 1.927 0.662 29 HB2 CYS 6 2HB CYS 6 0.433 4.797 0.444 30 HB3 CYS 6 1HB CYS 6 1.876 3.836 0.117 31 HG CYS 6 HG CYS 6 0.074 4.210 -1.992 32 H SER 7 H SER 7 1.477 0.491 1.368 33 HA SER 7 HA SER 7 3.954 1.039 2.582 34 HB2 SER 7 2HB SER 7 2.790 2.039 4.420 35 HB3 SER 7 1HB SER 7 1.540 0.799 4.390 36 HG SER 7 HG SER 7 3.736 0.837 5.836 37 H ARG 8 H ARG 8 3.089 -0.651 0.730 38 HA ARG 8 HA ARG 8 3.128 -2.867 0.090 39 HB2 ARG 8 2HB ARG 8 3.775 -3.360 3.023 40 HB3 ARG 8 1HB ARG 8 4.003 -4.517 1.716 41 HG2 ARG 8 2HG ARG 8 6.122 -3.666 1.705 42 HG3 ARG 8 1HG ARG 8 5.378 -2.416 0.708 43 HD2 ARG 8 2HD ARG 8 4.971 -1.810 3.514 44 HD3 ARG 8 1HD ARG 8 6.698 -2.026 3.169 45 HE ARG 8 HE ARG 8 4.933 -0.192 1.584 46 HH11 ARG 8 1HH2 ARG 8 7.576 -0.949 0.387 47 HH12 ARG 8 2HH2 ARG 8 8.602 0.336 0.933 48 HH21 ARG 8 1HH1 ARG 8 6.411 1.391 3.405 49 HH22 ARG 8 2HH1 ARG 8 7.942 1.660 2.641 50 HA PRO 9 HA PRO 9 -1.130 -2.582 1.894 51 HB2 PRO 9 2HB PRO 9 -2.354 -2.317 -0.530 52 HB3 PRO 9 1HB PRO 9 -1.750 -0.946 0.406 53 HG2 PRO 9 2HG PRO 9 -0.496 -2.392 -1.857 54 HG3 PRO 9 1HG PRO 9 -0.573 -0.653 -1.532 55 HD2 PRO 9 2HD PRO 9 1.643 -2.090 -1.048 56 HD3 PRO 9 1HD PRO 9 1.163 -0.721 -0.018 57 H GLY 10 H GLY 10 -3.083 -3.490 0.687 58 HA2 GLY 10 2HA GLY 10 -2.696 -6.178 -0.408 59 HA3 GLY 10 1HA GLY 10 -3.677 -6.016 1.077 Start of MODEL 10 1 H1 MET 1 H MET 1 -3.098 -3.625 -1.254 2 HA MET 1 HA MET 1 -4.349 -2.769 -2.994 3 HB2 MET 1 2HB MET 1 -5.910 -4.764 -2.840 4 HB3 MET 1 1HB MET 1 -6.777 -3.896 -1.574 5 HG2 MET 1 2HG MET 1 -7.907 -2.697 -3.107 6 HG3 MET 1 1HG MET 1 -6.399 -2.168 -3.853 7 HE1 MET 1 3HE MET 1 -9.637 -4.466 -4.650 8 HE2 MET 1 1HE MET 1 -9.278 -3.686 -6.196 9 HE3 MET 1 2HE MET 1 -9.242 -2.750 -4.704 10 H ASP 2 H ASP 2 -3.301 -1.140 -1.598 11 HA ASP 2 HA ASP 2 -3.445 1.032 -0.685 12 HB2 ASP 2 2HB ASP 2 -5.700 0.687 -2.130 13 HB3 ASP 2 1HB ASP 2 -6.421 0.836 -0.528 14 H CYS 3 H CYS 3 -2.575 0.444 1.323 15 HA CYS 3 HA CYS 3 -4.252 -0.659 3.481 16 HB2 CYS 3 2HB CYS 3 -2.157 -0.602 4.693 17 HB3 CYS 3 1HB CYS 3 -1.799 -1.141 3.052 18 HG CYS 3 HG CYS 3 -0.384 1.078 4.175 19 H SER 4 H SER 4 -2.736 1.127 5.372 20 HA SER 4 HA SER 4 -4.741 3.298 5.398 21 HB2 SER 4 2HB SER 4 -4.503 2.148 7.422 22 HB3 SER 4 1HB SER 4 -2.756 2.015 7.248 23 HG SER 4 HG SER 4 -4.265 4.368 7.782 24 H GLY 5 H GLY 5 -2.879 3.581 3.306 25 HA2 GLY 5 2HA GLY 5 -2.037 5.947 2.842 26 HA3 GLY 5 1HA GLY 5 -1.069 5.744 4.303 27 H CYS 6 H CYS 6 -1.618 3.140 1.996 28 HA CYS 6 HA CYS 6 -0.128 1.916 0.670 29 HB2 CYS 6 2HB CYS 6 0.866 3.278 -0.880 30 HB3 CYS 6 1HB CYS 6 -0.009 4.550 -0.040 31 HG CYS 6 HG CYS 6 2.363 4.724 1.427 32 H SER 7 H SER 7 1.413 0.471 1.389 33 HA SER 7 HA SER 7 3.912 1.019 2.585 34 HB2 SER 7 2HB SER 7 1.718 1.645 4.240 35 HB3 SER 7 1HB SER 7 2.273 0.076 4.807 36 HG SER 7 HG SER 7 4.450 1.127 4.693 37 H ARG 8 H ARG 8 3.154 -0.668 0.736 38 HA ARG 8 HA ARG 8 3.138 -2.879 0.094 39 HB2 ARG 8 2HB ARG 8 3.880 -3.245 3.021 40 HB3 ARG 8 1HB ARG 8 3.908 -4.548 1.837 41 HG2 ARG 8 2HG ARG 8 6.130 -3.807 1.818 42 HG3 ARG 8 1HG ARG 8 5.425 -2.934 0.456 43 HD2 ARG 8 2HD ARG 8 5.157 -1.556 3.063 44 HD3 ARG 8 1HD ARG 8 6.819 -1.708 2.460 45 HE ARG 8 HE ARG 8 4.820 -0.005 1.310 46 HH11 ARG 8 1HH2 ARG 8 7.959 -0.837 0.923 47 HH12 ARG 8 2HH2 ARG 8 7.987 -0.789 -0.808 48 HH21 ARG 8 1HH1 ARG 8 4.541 -0.565 -1.121 49 HH22 ARG 8 2HH1 ARG 8 6.051 -0.635 -1.965 50 HA PRO 9 HA PRO 9 -1.116 -2.583 1.903 51 HB2 PRO 9 2HB PRO 9 -2.342 -2.307 -0.518 52 HB3 PRO 9 1HB PRO 9 -1.730 -0.940 0.419 53 HG2 PRO 9 2HG PRO 9 -0.489 -2.387 -1.850 54 HG3 PRO 9 1HG PRO 9 -0.554 -0.649 -1.520 55 HD2 PRO 9 2HD PRO 9 1.652 -2.106 -1.046 56 HD3 PRO 9 1HD PRO 9 1.187 -0.733 -0.016 57 H GLY 10 H GLY 10 -3.074 -3.481 0.693 58 HA2 GLY 10 2HA GLY 10 -2.690 -6.171 -0.400 59 HA3 GLY 10 1HA GLY 10 -3.682 -6.002 1.077